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--- physics_chemistry:point_groups:c3:orientation_z [2018/03/21 15:17] – Stefano Agrestini
+++ physics_chemistry:point_groups:c3:orientation_z [2018/04/06 09:12] (current) – Maurits W. Haverkort
@@ Line 1: / Line 1: @@
+~~CLOSETOC~~
 ====== Orientation Z ======
+===== Symmetry Operations =====
 ###
-alligned paragraph text
+In the C3 Point Group, with orientation Z there are the following symmetry operations
 ###
-===== Example =====
+###
+{{:physics_chemistry:pointgroup:c3_z.png}}
 ###
-description text
 ###
-==== Input ====
+^ Operator ^ Orientation ^
-<code Quanty Example.Quanty>
+^  $\text{E}$  |  $\{0,0,0\}$  , |
--- some example code
+^  $C_3$  |  $\{0,0,1\}$  ,  $\{0,0,-1\}$  , |
+###
+===== Different Settings =====
+###
+  * [[physics_chemistry:point_groups:c3:orientation_x|Point Group C3 with orientation X]]
+  * [[physics_chemistry:point_groups:c3:orientation_y|Point Group C3 with orientation Y]]
+  * [[physics_chemistry:point_groups:c3:orientation_z|Point Group C3 with orientation Z]]
+###
+===== Character Table =====
+###
+|    ^   $\text{E} \,{\text{(1)}}$   ^   $C_3 \,{\text{(2)}}$   ^
+^  $\text{A}$  |   $1$  |   $1$  |
+^  $\text{E}$  |   $2$  |   $-1$  |
+###
+===== Product Table =====
+###
+|    ^   $\text{A}$   ^   $\text{E}$   ^
+^  $\text{A}$   |  $\text{A}$   |  $\text{E}$   |
+^  $\text{E}$   |  $\text{E}$   |  $2 \text{A}+\text{E}$   |
+###
+===== Sub Groups with compatible settings =====
+###
+  * [[physics_chemistry:point_groups:c1:orientation_1|Point Group C1 with orientation 1]]
+###
+===== Super Groups with compatible settings =====
+###
+  * [[physics_chemistry:point_groups:c3h:orientation_z|Point Group C3h with orientation Z]]
+  * [[physics_chemistry:point_groups:c3v:orientation_zx|Point Group C3v with orientation Zx]]
+  * [[physics_chemistry:point_groups:c3v:orientation_zy|Point Group C3v with orientation Zy]]
+  * [[physics_chemistry:point_groups:c6h:orientation_z|Point Group C6h with orientation Z]]
+  * [[physics_chemistry:point_groups:c6v:orientation_zx|Point Group C6v with orientation Zx]]
+  * [[physics_chemistry:point_groups:c6v:orientation_zy|Point Group C6v with orientation Zy]]
+  * [[physics_chemistry:point_groups:c6:orientation_z|Point Group C6 with orientation Z]]
+  * [[physics_chemistry:point_groups:d3d:orientation_zx|Point Group D3d with orientation Zx]]
+  * [[physics_chemistry:point_groups:d3d:orientation_zx_a|Point Group D3d with orientation Zx_A]]
+  * [[physics_chemistry:point_groups:d3d:orientation_zx_b|Point Group D3d with orientation Zx_B]]
+  * [[physics_chemistry:point_groups:d3d:orientation_z(x-y)|Point Group D3d with orientation Z(x-y)]]
+  * [[physics_chemistry:point_groups:d3d:orientation_z(x-y)_a|Point Group D3d with orientation Z(x-y)_A]]
+  * [[physics_chemistry:point_groups:d3d:orientation_z(x-y)_b|Point Group D3d with orientation Z(x-y)_B]]
+  * [[physics_chemistry:point_groups:d3d:orientation_zy|Point Group D3d with orientation Zy]]
+  * [[physics_chemistry:point_groups:d3d:orientation_zy_a|Point Group D3d with orientation Zy_A]]
+  * [[physics_chemistry:point_groups:d3d:orientation_zy_b|Point Group D3d with orientation Zy_B]]
+  * [[physics_chemistry:point_groups:d3h:orientation_zx|Point Group D3h with orientation Zx]]
+  * [[physics_chemistry:point_groups:d3h:orientation_zy|Point Group D3h with orientation Zy]]
+  * [[physics_chemistry:point_groups:d3:orientation_zx|Point Group D3 with orientation Zx]]
+  * [[physics_chemistry:point_groups:d3:orientation_zy|Point Group D3 with orientation Zy]]
+  * [[physics_chemistry:point_groups:d6h:orientation_zx|Point Group D6h with orientation Zx]]
+  * [[physics_chemistry:point_groups:d6h:orientation_zy|Point Group D6h with orientation Zy]]
+  * [[physics_chemistry:point_groups:d6:orientation_zxy|Point Group D6 with orientation Zxy]]
+  * [[physics_chemistry:point_groups:oh:orientation_0sqrt2-1z|Point Group Oh with orientation 0sqrt2-1z]]
+  * [[physics_chemistry:point_groups:oh:orientation_0sqrt21z|Point Group Oh with orientation 0sqrt21z]]
+  * [[physics_chemistry:point_groups:oh:orientation_111z|Point Group Oh with orientation 111z]]
+  * [[physics_chemistry:point_groups:oh:orientation_sqrt20-1z|Point Group Oh with orientation sqrt20-1z]]
+  * [[physics_chemistry:point_groups:oh:orientation_sqrt201z|Point Group Oh with orientation sqrt201z]]
+  * [[physics_chemistry:point_groups:s6:orientation_z|Point Group S6 with orientation Z]]
+###
+===== Invariant Potential expanded on renormalized spherical Harmonics =====
+###
+Any potential (function) can be written as a sum over spherical harmonics.
+ $V(r,\theta,\phi) = \sum_{k=0}^{\infty} \sum_{m=-k}^{k} A_{k,m}(r) C^{(m)}_k(\theta,\phi)$
+Here  $A_{k,m}(r)$  is a radial function and  $C^{(m)}_k(\theta,\phi)$  a renormalised spherical harmonics.  $C^{(m)}_k(\theta,\phi)=\sqrt{\frac{4\pi}{2k+1}}Y^{(m)}_k(\theta,\phi)$
+The presence of symmetry induces relations between the expansion coefficients such that  $V(r,\theta,\phi)$  is invariant under all symmetry operations. For the C3 Point group with orientation Z the form of the expansion coefficients is:
+###
+==== Expansion ====
+###
+ $$A_{k,m} = \begin{cases}
+ A(0,0) & k=0\land m=0 \\
+ A(1,0) & k=1\land m=0 \\
+ A(2,0) & k=2\land m=0 \\
+ -A(3,3)+i B(3,3) & k=3\land m=-3 \\
+ A(3,0) & k=3\land m=0 \\
+ A(3,3)+i B(3,3) & k=3\land m=3 \\
+ -A(4,3)+i B(4,3) & k=4\land m=-3 \\
+ A(4,0) & k=4\land m=0 \\
+ A(4,3)+i B(4,3) & k=4\land m=3 \\
+ -A(5,3)+i B(5,3) & k=5\land m=-3 \\
+ A(5,0) & k=5\land m=0 \\
+ A(5,3)+i B(5,3) & k=5\land m=3 \\
+ A(6,6)-i B(6,6) & k=6\land m=-6 \\
+ -A(6,3)+i B(6,3) & k=6\land m=-3 \\
+ A(6,0) & k=6\land m=0 \\
+ A(6,3)+i B(6,3) & k=6\land m=3 \\
+ A(6,6)+i B(6,6) & k=6\land m=6
+\end{cases}$$
+###
+==== Input format suitable for Mathematica (Quanty.nb) ====
+###
+<code Quanty Akm_C3_Z.Quanty.nb>
+Akm[k_,m_]:=Piecewise[{{A[0, 0], k == 0 && m == 0}, {A[1, 0], k == 1 && m == 0}, {A[2, 0], k == 2 && m == 0}, {-A[3, 3] + I*B[3, 3], k == 3 && m == -3}, {A[3, 0], k == 3 && m == 0}, {A[3, 3] + I*B[3, 3], k == 3 && m == 3}, {-A[4, 3] + I*B[4, 3], k == 4 && m == -3}, {A[4, 0], k == 4 && m == 0}, {A[4, 3] + I*B[4, 3], k == 4 && m == 3}, {-A[5, 3] + I*B[5, 3], k == 5 && m == -3}, {A[5, 0], k == 5 && m == 0}, {A[5, 3] + I*B[5, 3], k == 5 && m == 3}, {A[6, 6] - I*B[6, 6], k == 6 && m == -6}, {-A[6, 3] + I*B[6, 3], k == 6 && m == -3}, {A[6, 0], k == 6 && m == 0}, {A[6, 3] + I*B[6, 3], k == 6 && m == 3}, {A[6, 6] + I*B[6, 6], k == 6 && m == 6}}, 0]
 </code>
-==== Result ====
+###
-<WRAP center box 100%>
-text produced as output
-</WRAP>
-===== Table of contents =====
+==== Input format suitable for Quanty ====
-{{indexmenu>.#1}}
+###
+<code Quanty Akm_C3_Z.Quanty>
+Akm = {{0, 0, A(0,0)} ,
+       {1, 0, A(1,0)} ,
+       {2, 0, A(2,0)} ,
+       {3, 0, A(3,0)} ,
+       {3,-3, (-1)*(A(3,3)) + (I)*(B(3,3))} ,
+       {3, 3, A(3,3) + (I)*(B(3,3))} ,
+       {4, 0, A(4,0)} ,
+       {4,-3, (-1)*(A(4,3)) + (I)*(B(4,3))} ,
+       {4, 3, A(4,3) + (I)*(B(4,3))} ,
+       {5, 0, A(5,0)} ,
+       {5,-3, (-1)*(A(5,3)) + (I)*(B(5,3))} ,
+       {5, 3, A(5,3) + (I)*(B(5,3))} ,
+       {6, 0, A(6,0)} ,
+       {6,-3, (-1)*(A(6,3)) + (I)*(B(6,3))} ,
+       {6, 3, A(6,3) + (I)*(B(6,3))} ,
+       {6,-6, A(6,6) + (-I)*(B(6,6))} ,
+       {6, 6, A(6,6) + (I)*(B(6,6))} }
+</code>
+###
+==== One particle coupling on a basis of spherical harmonics ====
+###
+The operator representing the potential in second quantisation is given as:
+ $O = \sum_{n'',l'',m'',n',l',m'} \left\langle \psi_{n'',l'',m''}(r,\theta,\phi) \left| V(r,\theta,\phi) \right| \psi_{n',l',m'}(r,\theta,\phi) \right\rangle a^{\dagger}_{n'',l'',m''}a^{\phantom{\dagger}}_{n',l',m'}$
+For the quantisation of the wave-function (physical meaning of the indices n,l,m) we can choose a basis of spherical harmonics times some radial function, i.e.  $\psi_{n,l,m}(r,\theta,\phi)=R_{n,l}(r)Y_{m}^{(l)}(\theta,\phi)$ . With this choice the integral for the expectation value in front of the creation and annihilation operators separates into a radial part and angular part. The angular part has an analytical solution, the radial integral is cast int a parameter.
+ $A_{n''l'',n'l'}(k,m) = \left\langle R_{n'',l''} \left| A_{k,m}(r) \right| R_{n',l'} \right\rangle$
+Note the difference between the function  $A_{k,m}$  and the parameter  $A_{n''l'',n'l'}(k,m)$
+###
+###
+we can express the operator as
+ $O = \sum_{n'',l'',m'',n',l',m',k,m} A_{n''l'',n'l'}(k,m) \left\langle Y_{l''}^{(m'')}(\theta,\phi) \left| C_{k}^{(m)}(\theta,\phi) \right| Y_{l'}^{(m')}(\theta,\phi) \right\rangle a^{\dagger}_{n'',l'',m''}a^{\phantom{\dagger}}_{n',l',m'}$
+###
+###
+The table below shows the expectation value of  $O$  on a basis of spherical harmonics. We suppressed the principle quantum number indices. Note that in principle  $A_{l'',l'}(k,m)$  can be complex. Instead of allowing complex parameters we took  $A_{l'',l'}(k,m) + \mathrm{I}\, B_{l'',l'}(k,m)$  (with both A and B real) as the expansion parameter.
+###
+###
+|    ^   ${Y_{0}^{(0)}}$   ^   ${Y_{-1}^{(1)}}$   ^   ${Y_{0}^{(1)}}$   ^   ${Y_{1}^{(1)}}$   ^   ${Y_{-2}^{(2)}}$   ^   ${Y_{-1}^{(2)}}$   ^   ${Y_{0}^{(2)}}$   ^   ${Y_{1}^{(2)}}$   ^   ${Y_{2}^{(2)}}$   ^   ${Y_{-3}^{(3)}}$   ^   ${Y_{-2}^{(3)}}$   ^   ${Y_{-1}^{(3)}}$   ^   ${Y_{0}^{(3)}}$   ^   ${Y_{1}^{(3)}}$   ^   ${Y_{2}^{(3)}}$   ^   ${Y_{3}^{(3)}}$   ^
+^ ${Y_{0}^{(0)}}$ | $\text{Ass}(0,0)$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ \frac{\text{Asp}(1,0)}{\sqrt{3}} }$ | $\color{darkred}{ 0 }$ | $0$ | $0$ | $\frac{\text{Asd}(2,0)}{\sqrt{5}}$ | $0$ | $0$ | $\color{darkred}{ -\frac{\text{Asf}(3,3)+i \text{Bsf}(3,3)}{\sqrt{7}} }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ \frac{\text{Asf}(3,0)}{\sqrt{7}} }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ -\frac{-\text{Asf}(3,3)+i \text{Bsf}(3,3)}{\sqrt{7}} }$ |
+^ ${Y_{-1}^{(1)}}$ | $\color{darkred}{ 0 }$ | $\text{App}(0,0)-\frac{1}{5} \text{App}(2,0)$ | $0$ | $0$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ \frac{\text{Apd}(1,0)}{\sqrt{5}}-\frac{3 \text{Apd}(3,0)}{7 \sqrt{5}} }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ \frac{3}{7} (-\text{Apd}(3,3)+i \text{Bpd}(3,3)) }$ | $0$ | $0$ | $\frac{3}{5} \sqrt{\frac{2}{7}} \text{Apf}(2,0)-\frac{1}{3} \sqrt{\frac{2}{7}} \text{Apf}(4,0)$ | $0$ | $0$ | $\frac{1}{3} (-\text{Apf}(4,3)+i \text{Bpf}(4,3))$ | $0$ |
+^ ${Y_{0}^{(1)}}$ | $\color{darkred}{ \frac{\text{Asp}(1,0)}{\sqrt{3}} }$ | $0$ | $\text{App}(0,0)+\frac{2}{5} \text{App}(2,0)$ | $0$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ \frac{2 \text{Apd}(1,0)}{\sqrt{15}}+\frac{3}{7} \sqrt{\frac{3}{5}} \text{Apd}(3,0) }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $-\frac{\text{Apf}(4,3)+i \text{Bpf}(4,3)}{3 \sqrt{3}}$ | $0$ | $0$ | $\frac{3}{5} \sqrt{\frac{3}{7}} \text{Apf}(2,0)+\frac{4 \text{Apf}(4,0)}{3 \sqrt{21}}$ | $0$ | $0$ | $-\frac{-\text{Apf}(4,3)+i \text{Bpf}(4,3)}{3 \sqrt{3}}$ |
+^ ${Y_{1}^{(1)}}$ | $\color{darkred}{ 0 }$ | $0$ | $0$ | $\text{App}(0,0)-\frac{1}{5} \text{App}(2,0)$ | $\color{darkred}{ \frac{3}{7} (\text{Apd}(3,3)+i \text{Bpd}(3,3)) }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ \frac{\text{Apd}(1,0)}{\sqrt{5}}-\frac{3 \text{Apd}(3,0)}{7 \sqrt{5}} }$ | $\color{darkred}{ 0 }$ | $0$ | $\frac{1}{3} (\text{Apf}(4,3)+i \text{Bpf}(4,3))$ | $0$ | $0$ | $\frac{3}{5} \sqrt{\frac{2}{7}} \text{Apf}(2,0)-\frac{1}{3} \sqrt{\frac{2}{7}} \text{Apf}(4,0)$ | $0$ | $0$ |
+^ ${Y_{-2}^{(2)}}$ | $0$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ -\frac{3}{7} (-\text{Apd}(3,3)+i \text{Bpd}(3,3)) }$ | $\text{Add}(0,0)-\frac{2}{7} \text{Add}(2,0)+\frac{1}{21} \text{Add}(4,0)$ | $0$ | $0$ | $-\frac{1}{3} \sqrt{\frac{5}{7}} (-\text{Add}(4,3)+i \text{Bdd}(4,3))$ | $0$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ \frac{\text{Adf}(1,0)}{\sqrt{7}}-\frac{2 \text{Adf}(3,0)}{3 \sqrt{7}}+\frac{5 \text{Adf}(5,0)}{33 \sqrt{7}} }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ \frac{1}{3} \sqrt{\frac{2}{7}} (-\text{Adf}(3,3)+i \text{Bdf}(3,3))-\frac{5}{33} \sqrt{2} (-\text{Adf}(5,3)+i \text{Bdf}(5,3)) }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ |
+^ ${Y_{-1}^{(2)}}$ | $0$ | $\color{darkred}{ \frac{\text{Apd}(1,0)}{\sqrt{5}}-\frac{3 \text{Apd}(3,0)}{7 \sqrt{5}} }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $0$ | $\text{Add}(0,0)+\frac{1}{7} \text{Add}(2,0)-\frac{4}{21} \text{Add}(4,0)$ | $0$ | $0$ | $\frac{1}{3} \sqrt{\frac{5}{7}} (-\text{Add}(4,3)+i \text{Bdd}(4,3))$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 2 \sqrt{\frac{2}{35}} \text{Adf}(1,0)+\frac{1}{3} \sqrt{\frac{2}{35}} \text{Adf}(3,0)-\frac{5}{33} \sqrt{\frac{10}{7}} \text{Adf}(5,0) }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ \frac{1}{3} \sqrt{\frac{5}{7}} (-\text{Adf}(3,3)+i \text{Bdf}(3,3))+\frac{4}{33} \sqrt{5} (-\text{Adf}(5,3)+i \text{Bdf}(5,3)) }$ | $\color{darkred}{ 0 }$ |
+^ ${Y_{0}^{(2)}}$ | $\frac{\text{Asd}(2,0)}{\sqrt{5}}$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ \frac{2 \text{Apd}(1,0)}{\sqrt{15}}+\frac{3}{7} \sqrt{\frac{3}{5}} \text{Apd}(3,0) }$ | $\color{darkred}{ 0 }$ | $0$ | $0$ | $\text{Add}(0,0)+\frac{2}{7} \text{Add}(2,0)+\frac{2}{7} \text{Add}(4,0)$ | $0$ | $0$ | $\color{darkred}{ \frac{1}{3} \sqrt{\frac{5}{7}} (\text{Adf}(3,3)+i \text{Bdf}(3,3))-\frac{2}{33} \sqrt{5} (\text{Adf}(5,3)+i \text{Bdf}(5,3)) }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ \frac{3 \text{Adf}(1,0)}{\sqrt{35}}+\frac{4 \text{Adf}(3,0)}{3 \sqrt{35}}+\frac{10}{33} \sqrt{\frac{5}{7}} \text{Adf}(5,0) }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ \frac{1}{3} \sqrt{\frac{5}{7}} (-\text{Adf}(3,3)+i \text{Bdf}(3,3))-\frac{2}{33} \sqrt{5} (-\text{Adf}(5,3)+i \text{Bdf}(5,3)) }$ |
+^ ${Y_{1}^{(2)}}$ | $0$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ \frac{\text{Apd}(1,0)}{\sqrt{5}}-\frac{3 \text{Apd}(3,0)}{7 \sqrt{5}} }$ | $\frac{1}{3} \sqrt{\frac{5}{7}} (\text{Add}(4,3)+i \text{Bdd}(4,3))$ | $0$ | $0$ | $\text{Add}(0,0)+\frac{1}{7} \text{Add}(2,0)-\frac{4}{21} \text{Add}(4,0)$ | $0$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ \frac{1}{3} \sqrt{\frac{5}{7}} (\text{Adf}(3,3)+i \text{Bdf}(3,3))+\frac{4}{33} \sqrt{5} (\text{Adf}(5,3)+i \text{Bdf}(5,3)) }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 2 \sqrt{\frac{2}{35}} \text{Adf}(1,0)+\frac{1}{3} \sqrt{\frac{2}{35}} \text{Adf}(3,0)-\frac{5}{33} \sqrt{\frac{10}{7}} \text{Adf}(5,0) }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ |
+^ ${Y_{2}^{(2)}}$ | $0$ | $\color{darkred}{ -\frac{3}{7} (\text{Apd}(3,3)+i \text{Bpd}(3,3)) }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $0$ | $-\frac{1}{3} \sqrt{\frac{5}{7}} (\text{Add}(4,3)+i \text{Bdd}(4,3))$ | $0$ | $0$ | $\text{Add}(0,0)-\frac{2}{7} \text{Add}(2,0)+\frac{1}{21} \text{Add}(4,0)$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ \frac{1}{3} \sqrt{\frac{2}{7}} (\text{Adf}(3,3)+i \text{Bdf}(3,3))-\frac{5}{33} \sqrt{2} (\text{Adf}(5,3)+i \text{Bdf}(5,3)) }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ \frac{\text{Adf}(1,0)}{\sqrt{7}}-\frac{2 \text{Adf}(3,0)}{3 \sqrt{7}}+\frac{5 \text{Adf}(5,0)}{33 \sqrt{7}} }$ | $\color{darkred}{ 0 }$ |
+^ ${Y_{-3}^{(3)}}$ | $\color{darkred}{ \frac{-\text{Asf}(3,3)+i \text{Bsf}(3,3)}{\sqrt{7}} }$ | $0$ | $\frac{-\text{Apf}(4,3)+i \text{Bpf}(4,3)}{3 \sqrt{3}}$ | $0$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ \frac{2}{33} \sqrt{5} (-\text{Adf}(5,3)+i \text{Bdf}(5,3))-\frac{1}{3} \sqrt{\frac{5}{7}} (-\text{Adf}(3,3)+i \text{Bdf}(3,3)) }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\text{Aff}(0,0)-\frac{1}{3} \text{Aff}(2,0)+\frac{1}{11} \text{Aff}(4,0)-\frac{5}{429} \text{Aff}(6,0)$ | $0$ | $0$ | $\frac{10}{143} \sqrt{\frac{7}{3}} (-\text{Aff}(6,3)+i \text{Bff}(6,3))-\frac{1}{11} \sqrt{7} (-\text{Aff}(4,3)+i \text{Bff}(4,3))$ | $0$ | $0$ | $-\frac{10}{13} \sqrt{\frac{7}{33}} (\text{Aff}(6,6)-i \text{Bff}(6,6))$ |
+^ ${Y_{-2}^{(3)}}$ | $\color{darkred}{ 0 }$ | $0$ | $0$ | $\frac{1}{3} (\text{Apf}(4,3)-i \text{Bpf}(4,3))$ | $\color{darkred}{ \frac{\text{Adf}(1,0)}{\sqrt{7}}-\frac{2 \text{Adf}(3,0)}{3 \sqrt{7}}+\frac{5 \text{Adf}(5,0)}{33 \sqrt{7}} }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ -\frac{1}{3} \sqrt{\frac{5}{7}} (-\text{Adf}(3,3)+i \text{Bdf}(3,3))-\frac{4}{33} \sqrt{5} (-\text{Adf}(5,3)+i \text{Bdf}(5,3)) }$ | $\color{darkred}{ 0 }$ | $0$ | $\text{Aff}(0,0)-\frac{7}{33} \text{Aff}(4,0)+\frac{10}{143} \text{Aff}(6,0)$ | $0$ | $0$ | $-\frac{1}{33} \sqrt{14} (-\text{Aff}(4,3)+i \text{Bff}(4,3))-\frac{5}{143} \sqrt{42} (-\text{Aff}(6,3)+i \text{Bff}(6,3))$ | $0$ | $0$ |
+^ ${Y_{-1}^{(3)}}$ | $\color{darkred}{ 0 }$ | $\frac{3}{5} \sqrt{\frac{2}{7}} \text{Apf}(2,0)-\frac{1}{3} \sqrt{\frac{2}{7}} \text{Apf}(4,0)$ | $0$ | $0$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 2 \sqrt{\frac{2}{35}} \text{Adf}(1,0)+\frac{1}{3} \sqrt{\frac{2}{35}} \text{Adf}(3,0)-\frac{5}{33} \sqrt{\frac{10}{7}} \text{Adf}(5,0) }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ \frac{5}{33} \sqrt{2} (-\text{Adf}(5,3)+i \text{Bdf}(5,3))-\frac{1}{3} \sqrt{\frac{2}{7}} (-\text{Adf}(3,3)+i \text{Bdf}(3,3)) }$ | $0$ | $0$ | $\text{Aff}(0,0)+\frac{1}{5} \text{Aff}(2,0)+\frac{1}{33} \text{Aff}(4,0)-\frac{25}{143} \text{Aff}(6,0)$ | $0$ | $0$ | $\frac{1}{33} \sqrt{14} (-\text{Aff}(4,3)+i \text{Bff}(4,3))+\frac{5}{143} \sqrt{42} (-\text{Aff}(6,3)+i \text{Bff}(6,3))$ | $0$ |
+^ ${Y_{0}^{(3)}}$ | $\color{darkred}{ \frac{\text{Asf}(3,0)}{\sqrt{7}} }$ | $0$ | $\frac{3}{5} \sqrt{\frac{3}{7}} \text{Apf}(2,0)+\frac{4 \text{Apf}(4,0)}{3 \sqrt{21}}$ | $0$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ \frac{3 \text{Adf}(1,0)}{\sqrt{35}}+\frac{4 \text{Adf}(3,0)}{3 \sqrt{35}}+\frac{10}{33} \sqrt{\frac{5}{7}} \text{Adf}(5,0) }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\frac{1}{11} \sqrt{7} (\text{Aff}(4,3)+i \text{Bff}(4,3))-\frac{10}{143} \sqrt{\frac{7}{3}} (\text{Aff}(6,3)+i \text{Bff}(6,3))$ | $0$ | $0$ | $\text{Aff}(0,0)+\frac{4}{15} \text{Aff}(2,0)+\frac{2}{11} \text{Aff}(4,0)+\frac{100}{429} \text{Aff}(6,0)$ | $0$ | $0$ | $\frac{1}{11} \sqrt{7} (-\text{Aff}(4,3)+i \text{Bff}(4,3))-\frac{10}{143} \sqrt{\frac{7}{3}} (-\text{Aff}(6,3)+i \text{Bff}(6,3))$ |
+^ ${Y_{1}^{(3)}}$ | $\color{darkred}{ 0 }$ | $0$ | $0$ | $\frac{3}{5} \sqrt{\frac{2}{7}} \text{Apf}(2,0)-\frac{1}{3} \sqrt{\frac{2}{7}} \text{Apf}(4,0)$ | $\color{darkred}{ \frac{5}{33} \sqrt{2} (\text{Adf}(5,3)+i \text{Bdf}(5,3))-\frac{1}{3} \sqrt{\frac{2}{7}} (\text{Adf}(3,3)+i \text{Bdf}(3,3)) }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 2 \sqrt{\frac{2}{35}} \text{Adf}(1,0)+\frac{1}{3} \sqrt{\frac{2}{35}} \text{Adf}(3,0)-\frac{5}{33} \sqrt{\frac{10}{7}} \text{Adf}(5,0) }$ | $\color{darkred}{ 0 }$ | $0$ | $\frac{1}{33} \sqrt{14} (\text{Aff}(4,3)+i \text{Bff}(4,3))+\frac{5}{143} \sqrt{42} (\text{Aff}(6,3)+i \text{Bff}(6,3))$ | $0$ | $0$ | $\text{Aff}(0,0)+\frac{1}{5} \text{Aff}(2,0)+\frac{1}{33} \text{Aff}(4,0)-\frac{25}{143} \text{Aff}(6,0)$ | $0$ | $0$ |
+^ ${Y_{2}^{(3)}}$ | $\color{darkred}{ 0 }$ | $\frac{1}{3} (-\text{Apf}(4,3)-i \text{Bpf}(4,3))$ | $0$ | $0$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ -\frac{1}{3} \sqrt{\frac{5}{7}} (\text{Adf}(3,3)+i \text{Bdf}(3,3))-\frac{4}{33} \sqrt{5} (\text{Adf}(5,3)+i \text{Bdf}(5,3)) }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ \frac{\text{Adf}(1,0)}{\sqrt{7}}-\frac{2 \text{Adf}(3,0)}{3 \sqrt{7}}+\frac{5 \text{Adf}(5,0)}{33 \sqrt{7}} }$ | $0$ | $0$ | $-\frac{1}{33} \sqrt{14} (\text{Aff}(4,3)+i \text{Bff}(4,3))-\frac{5}{143} \sqrt{42} (\text{Aff}(6,3)+i \text{Bff}(6,3))$ | $0$ | $0$ | $\text{Aff}(0,0)-\frac{7}{33} \text{Aff}(4,0)+\frac{10}{143} \text{Aff}(6,0)$ | $0$ |
+^ ${Y_{3}^{(3)}}$ | $\color{darkred}{ \frac{\text{Asf}(3,3)+i \text{Bsf}(3,3)}{\sqrt{7}} }$ | $0$ | $\frac{\text{Apf}(4,3)+i \text{Bpf}(4,3)}{3 \sqrt{3}}$ | $0$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ \frac{2}{33} \sqrt{5} (\text{Adf}(5,3)+i \text{Bdf}(5,3))-\frac{1}{3} \sqrt{\frac{5}{7}} (\text{Adf}(3,3)+i \text{Bdf}(3,3)) }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $-\frac{10}{13} \sqrt{\frac{7}{33}} (\text{Aff}(6,6)+i \text{Bff}(6,6))$ | $0$ | $0$ | $\frac{10}{143} \sqrt{\frac{7}{3}} (\text{Aff}(6,3)+i \text{Bff}(6,3))-\frac{1}{11} \sqrt{7} (\text{Aff}(4,3)+i \text{Bff}(4,3))$ | $0$ | $0$ | $\text{Aff}(0,0)-\frac{1}{3} \text{Aff}(2,0)+\frac{1}{11} \text{Aff}(4,0)-\frac{5}{429} \text{Aff}(6,0)$ |
+###
+==== Rotation matrix to symmetry adapted functions (choice is not unique) ====
+###
+Instead of a basis of spherical harmonics one can chose any other basis, which is given by a unitary transformation. Here we choose a rotation that simplifies the representation of the crystal field
+###
+###
+|    ^   ${Y_{0}^{(0)}}$   ^   ${Y_{-1}^{(1)}}$   ^   ${Y_{0}^{(1)}}$   ^   ${Y_{1}^{(1)}}$   ^   ${Y_{-2}^{(2)}}$   ^   ${Y_{-1}^{(2)}}$   ^   ${Y_{0}^{(2)}}$   ^   ${Y_{1}^{(2)}}$   ^   ${Y_{2}^{(2)}}$   ^   ${Y_{-3}^{(3)}}$   ^   ${Y_{-2}^{(3)}}$   ^   ${Y_{-1}^{(3)}}$   ^   ${Y_{0}^{(3)}}$   ^   ${Y_{1}^{(3)}}$   ^   ${Y_{2}^{(3)}}$   ^   ${Y_{3}^{(3)}}$   ^
+^ $\text{s}$ | $1$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $0$ | $0$ | $0$ | $0$ | $0$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ |
+^ $p_y$ | $\color{darkred}{ 0 }$ | $\frac{i}{\sqrt{2}}$ | $0$ | $\frac{i}{\sqrt{2}}$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $0$ | $0$ | $0$ | $0$ | $0$ | $0$ | $0$ |
+^ $p_z$ | $\color{darkred}{ 0 }$ | $0$ | $1$ | $0$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $0$ | $0$ | $0$ | $0$ | $0$ | $0$ | $0$ |
+^ $p_x$ | $\color{darkred}{ 0 }$ | $\frac{1}{\sqrt{2}}$ | $0$ | $-\frac{1}{\sqrt{2}}$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $0$ | $0$ | $0$ | $0$ | $0$ | $0$ | $0$ |
+^ $d_{\text{xy}}$ | $0$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\frac{i}{\sqrt{2}}$ | $0$ | $0$ | $0$ | $-\frac{i}{\sqrt{2}}$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ |
+^ $d_{\text{yz}}$ | $0$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $0$ | $\frac{i}{\sqrt{2}}$ | $0$ | $\frac{i}{\sqrt{2}}$ | $0$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ |
+^ $d_{3z^2-r^2}$ | $0$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $0$ | $0$ | $1$ | $0$ | $0$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ |
+^ $d_{\text{xz}}$ | $0$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $0$ | $\frac{1}{\sqrt{2}}$ | $0$ | $-\frac{1}{\sqrt{2}}$ | $0$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ |
+^ $d_{x^2-y^2}$ | $0$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\frac{1}{\sqrt{2}}$ | $0$ | $0$ | $0$ | $\frac{1}{\sqrt{2}}$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ |
+^ $f_{y\left(3x^2-y^2\right)}$ | $\color{darkred}{ 0 }$ | $0$ | $0$ | $0$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\frac{i}{\sqrt{2}}$ | $0$ | $0$ | $0$ | $0$ | $0$ | $\frac{i}{\sqrt{2}}$ |
+^ $f_{\text{xyz}}$ | $\color{darkred}{ 0 }$ | $0$ | $0$ | $0$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $0$ | $\frac{i}{\sqrt{2}}$ | $0$ | $0$ | $0$ | $-\frac{i}{\sqrt{2}}$ | $0$ |
+^ $f_{y\left(5z^2-r^2\right)}$ | $\color{darkred}{ 0 }$ | $0$ | $0$ | $0$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $0$ | $0$ | $\frac{i}{\sqrt{2}}$ | $0$ | $\frac{i}{\sqrt{2}}$ | $0$ | $0$ |
+^ $f_{z\left(5z^2-3r^2\right)}$ | $\color{darkred}{ 0 }$ | $0$ | $0$ | $0$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $0$ | $0$ | $0$ | $1$ | $0$ | $0$ | $0$ |
+^ $f_{x\left(5z^2-r^2\right)}$ | $\color{darkred}{ 0 }$ | $0$ | $0$ | $0$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $0$ | $0$ | $\frac{1}{\sqrt{2}}$ | $0$ | $-\frac{1}{\sqrt{2}}$ | $0$ | $0$ |
+^ $f_{z\left(x^2-y^2\right)}$ | $\color{darkred}{ 0 }$ | $0$ | $0$ | $0$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $0$ | $\frac{1}{\sqrt{2}}$ | $0$ | $0$ | $0$ | $\frac{1}{\sqrt{2}}$ | $0$ |
+^ $f_{x\left(x^2-3y^2\right)}$ | $\color{darkred}{ 0 }$ | $0$ | $0$ | $0$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\frac{1}{\sqrt{2}}$ | $0$ | $0$ | $0$ | $0$ | $0$ | $-\frac{1}{\sqrt{2}}$ |
+###
+==== One particle coupling on a basis of symmetry adapted functions ====
+###
+After rotation we find
+###
+###
+|    ^   $\text{s}$   ^   $p_y$   ^   $p_z$   ^   $p_x$   ^   $d_{\text{xy}}$   ^   $d_{\text{yz}}$   ^   $d_{3z^2-r^2}$   ^   $d_{\text{xz}}$   ^   $d_{x^2-y^2}$   ^   $f_{y\left(3x^2-y^2\right)}$   ^   $f_{\text{xyz}}$   ^   $f_{y\left(5z^2-r^2\right)}$   ^   $f_{z\left(5z^2-3r^2\right)}$   ^   $f_{x\left(5z^2-r^2\right)}$   ^   $f_{z\left(x^2-y^2\right)}$   ^   $f_{x\left(x^2-3y^2\right)}$   ^
+^ $\text{s}$ | $\text{Ass}(0,0)$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ \frac{\text{Asp}(1,0)}{\sqrt{3}} }$ | $\color{darkred}{ 0 }$ | $0$ | $0$ | $\frac{\text{Asd}(2,0)}{\sqrt{5}}$ | $0$ | $0$ | $\color{darkred}{ \sqrt{\frac{2}{7}} \text{Bsf}(3,3) }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ \frac{\text{Asf}(3,0)}{\sqrt{7}} }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ -\sqrt{\frac{2}{7}} \text{Asf}(3,3) }$ |
+^ $p_y$ | $\color{darkred}{ 0 }$ | $\text{App}(0,0)-\frac{1}{5} \text{App}(2,0)$ | $0$ | $0$ | $\color{darkred}{ \frac{3}{7} \text{Apd}(3,3) }$ | $\color{darkred}{ \frac{\text{Apd}(1,0)}{\sqrt{5}}-\frac{3 \text{Apd}(3,0)}{7 \sqrt{5}} }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ \frac{3}{7} \text{Bpd}(3,3) }$ | $0$ | $\frac{1}{3} \text{Apf}(4,3)$ | $\frac{3}{5} \sqrt{\frac{2}{7}} \text{Apf}(2,0)-\frac{1}{3} \sqrt{\frac{2}{7}} \text{Apf}(4,0)$ | $0$ | $0$ | $\frac{1}{3} \text{Bpf}(4,3)$ | $0$ |
+^ $p_z$ | $\color{darkred}{ \frac{\text{Asp}(1,0)}{\sqrt{3}} }$ | $0$ | $\text{App}(0,0)+\frac{2}{5} \text{App}(2,0)$ | $0$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ \frac{2 \text{Apd}(1,0)}{\sqrt{15}}+\frac{3}{7} \sqrt{\frac{3}{5}} \text{Apd}(3,0) }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\frac{1}{3} \sqrt{\frac{2}{3}} \text{Bpf}(4,3)$ | $0$ | $0$ | $\frac{3}{5} \sqrt{\frac{3}{7}} \text{Apf}(2,0)+\frac{4 \text{Apf}(4,0)}{3 \sqrt{21}}$ | $0$ | $0$ | $-\frac{1}{3} \sqrt{\frac{2}{3}} \text{Apf}(4,3)$ |
+^ $p_x$ | $\color{darkred}{ 0 }$ | $0$ | $0$ | $\text{App}(0,0)-\frac{1}{5} \text{App}(2,0)$ | $\color{darkred}{ \frac{3}{7} \text{Bpd}(3,3) }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ \frac{\text{Apd}(1,0)}{\sqrt{5}}-\frac{3 \text{Apd}(3,0)}{7 \sqrt{5}} }$ | $\color{darkred}{ -\frac{3}{7} \text{Apd}(3,3) }$ | $0$ | $\frac{1}{3} \text{Bpf}(4,3)$ | $0$ | $0$ | $\frac{3}{5} \sqrt{\frac{2}{7}} \text{Apf}(2,0)-\frac{1}{3} \sqrt{\frac{2}{7}} \text{Apf}(4,0)$ | $-\frac{1}{3} \text{Apf}(4,3)$ | $0$ |
+^ $d_{\text{xy}}$ | $0$ | $\color{darkred}{ \frac{3}{7} \text{Apd}(3,3) }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ \frac{3}{7} \text{Bpd}(3,3) }$ | $\text{Add}(0,0)-\frac{2}{7} \text{Add}(2,0)+\frac{1}{21} \text{Add}(4,0)$ | $\frac{1}{3} \sqrt{\frac{5}{7}} \text{Add}(4,3)$ | $0$ | $\frac{1}{3} \sqrt{\frac{5}{7}} \text{Bdd}(4,3)$ | $0$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ \frac{\text{Adf}(1,0)}{\sqrt{7}}-\frac{2 \text{Adf}(3,0)}{3 \sqrt{7}}+\frac{5 \text{Adf}(5,0)}{33 \sqrt{7}} }$ | $\color{darkred}{ \frac{5}{33} \sqrt{2} \text{Adf}(5,3)-\frac{1}{3} \sqrt{\frac{2}{7}} \text{Adf}(3,3) }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ \frac{5}{33} \sqrt{2} \text{Bdf}(5,3)-\frac{1}{3} \sqrt{\frac{2}{7}} \text{Bdf}(3,3) }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ |
+^ $d_{\text{yz}}$ | $0$ | $\color{darkred}{ \frac{\text{Apd}(1,0)}{\sqrt{5}}-\frac{3 \text{Apd}(3,0)}{7 \sqrt{5}} }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\frac{1}{3} \sqrt{\frac{5}{7}} \text{Add}(4,3)$ | $\text{Add}(0,0)+\frac{1}{7} \text{Add}(2,0)-\frac{4}{21} \text{Add}(4,0)$ | $0$ | $0$ | $\frac{1}{3} \sqrt{\frac{5}{7}} \text{Bdd}(4,3)$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ \frac{1}{3} \sqrt{\frac{5}{7}} \text{Adf}(3,3)+\frac{4}{33} \sqrt{5} \text{Adf}(5,3) }$ | $\color{darkred}{ 2 \sqrt{\frac{2}{35}} \text{Adf}(1,0)+\frac{1}{3} \sqrt{\frac{2}{35}} \text{Adf}(3,0)-\frac{5}{33} \sqrt{\frac{10}{7}} \text{Adf}(5,0) }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ \frac{1}{3} \sqrt{\frac{5}{7}} \text{Bdf}(3,3)+\frac{4}{33} \sqrt{5} \text{Bdf}(5,3) }$ | $\color{darkred}{ 0 }$ |
+^ $d_{3z^2-r^2}$ | $\frac{\text{Asd}(2,0)}{\sqrt{5}}$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ \frac{2 \text{Apd}(1,0)}{\sqrt{15}}+\frac{3}{7} \sqrt{\frac{3}{5}} \text{Apd}(3,0) }$ | $\color{darkred}{ 0 }$ | $0$ | $0$ | $\text{Add}(0,0)+\frac{2}{7} \text{Add}(2,0)+\frac{2}{7} \text{Add}(4,0)$ | $0$ | $0$ | $\color{darkred}{ \frac{2}{33} \sqrt{10} \text{Bdf}(5,3)-\frac{1}{3} \sqrt{\frac{10}{7}} \text{Bdf}(3,3) }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ \frac{3 \text{Adf}(1,0)}{\sqrt{35}}+\frac{4 \text{Adf}(3,0)}{3 \sqrt{35}}+\frac{10}{33} \sqrt{\frac{5}{7}} \text{Adf}(5,0) }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ \frac{1}{3} \sqrt{\frac{10}{7}} \text{Adf}(3,3)-\frac{2}{33} \sqrt{10} \text{Adf}(5,3) }$ |
+^ $d_{\text{xz}}$ | $0$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ \frac{\text{Apd}(1,0)}{\sqrt{5}}-\frac{3 \text{Apd}(3,0)}{7 \sqrt{5}} }$ | $\frac{1}{3} \sqrt{\frac{5}{7}} \text{Bdd}(4,3)$ | $0$ | $0$ | $\text{Add}(0,0)+\frac{1}{7} \text{Add}(2,0)-\frac{4}{21} \text{Add}(4,0)$ | $-\frac{1}{3} \sqrt{\frac{5}{7}} \text{Add}(4,3)$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ \frac{1}{3} \sqrt{\frac{5}{7}} \text{Bdf}(3,3)+\frac{4}{33} \sqrt{5} \text{Bdf}(5,3) }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 2 \sqrt{\frac{2}{35}} \text{Adf}(1,0)+\frac{1}{3} \sqrt{\frac{2}{35}} \text{Adf}(3,0)-\frac{5}{33} \sqrt{\frac{10}{7}} \text{Adf}(5,0) }$ | $\color{darkred}{ -\frac{1}{3} \sqrt{\frac{5}{7}} \text{Adf}(3,3)-\frac{4}{33} \sqrt{5} \text{Adf}(5,3) }$ | $\color{darkred}{ 0 }$ |
+^ $d_{x^2-y^2}$ | $0$ | $\color{darkred}{ \frac{3}{7} \text{Bpd}(3,3) }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ -\frac{3}{7} \text{Apd}(3,3) }$ | $0$ | $\frac{1}{3} \sqrt{\frac{5}{7}} \text{Bdd}(4,3)$ | $0$ | $-\frac{1}{3} \sqrt{\frac{5}{7}} \text{Add}(4,3)$ | $\text{Add}(0,0)-\frac{2}{7} \text{Add}(2,0)+\frac{1}{21} \text{Add}(4,0)$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ \frac{5}{33} \sqrt{2} \text{Bdf}(5,3)-\frac{1}{3} \sqrt{\frac{2}{7}} \text{Bdf}(3,3) }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ \frac{1}{3} \sqrt{\frac{2}{7}} \text{Adf}(3,3)-\frac{5}{33} \sqrt{2} \text{Adf}(5,3) }$ | $\color{darkred}{ \frac{\text{Adf}(1,0)}{\sqrt{7}}-\frac{2 \text{Adf}(3,0)}{3 \sqrt{7}}+\frac{5 \text{Adf}(5,0)}{33 \sqrt{7}} }$ | $\color{darkred}{ 0 }$ |
+^ $f_{y\left(3x^2-y^2\right)}$ | $\color{darkred}{ \sqrt{\frac{2}{7}} \text{Bsf}(3,3) }$ | $0$ | $\frac{1}{3} \sqrt{\frac{2}{3}} \text{Bpf}(4,3)$ | $0$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ \frac{2}{33} \sqrt{10} \text{Bdf}(5,3)-\frac{1}{3} \sqrt{\frac{10}{7}} \text{Bdf}(3,3) }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\text{Aff}(0,0)-\frac{1}{3} \text{Aff}(2,0)+\frac{1}{11} \text{Aff}(4,0)-\frac{5}{429} \text{Aff}(6,0)-\frac{10}{13} \sqrt{\frac{7}{33}} \text{Aff}(6,6)$ | $0$ | $0$ | $\frac{10}{143} \sqrt{\frac{14}{3}} \text{Bff}(6,3)-\frac{1}{11} \sqrt{14} \text{Bff}(4,3)$ | $0$ | $0$ | $-\frac{10}{13} \sqrt{\frac{7}{33}} \text{Bff}(6,6)$ |
+^ $f_{\text{xyz}}$ | $\color{darkred}{ 0 }$ | $\frac{1}{3} \text{Apf}(4,3)$ | $0$ | $\frac{1}{3} \text{Bpf}(4,3)$ | $\color{darkred}{ \frac{\text{Adf}(1,0)}{\sqrt{7}}-\frac{2 \text{Adf}(3,0)}{3 \sqrt{7}}+\frac{5 \text{Adf}(5,0)}{33 \sqrt{7}} }$ | $\color{darkred}{ \frac{1}{3} \sqrt{\frac{5}{7}} \text{Adf}(3,3)+\frac{4}{33} \sqrt{5} \text{Adf}(5,3) }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ \frac{1}{3} \sqrt{\frac{5}{7}} \text{Bdf}(3,3)+\frac{4}{33} \sqrt{5} \text{Bdf}(5,3) }$ | $\color{darkred}{ 0 }$ | $0$ | $\text{Aff}(0,0)-\frac{7}{33} \text{Aff}(4,0)+\frac{10}{143} \text{Aff}(6,0)$ | $\frac{1}{33} \sqrt{14} \text{Aff}(4,3)+\frac{5}{143} \sqrt{42} \text{Aff}(6,3)$ | $0$ | $\frac{1}{33} \sqrt{14} \text{Bff}(4,3)+\frac{5}{143} \sqrt{42} \text{Bff}(6,3)$ | $0$ | $0$ |
+^ $f_{y\left(5z^2-r^2\right)}$ | $\color{darkred}{ 0 }$ | $\frac{3}{5} \sqrt{\frac{2}{7}} \text{Apf}(2,0)-\frac{1}{3} \sqrt{\frac{2}{7}} \text{Apf}(4,0)$ | $0$ | $0$ | $\color{darkred}{ \frac{5}{33} \sqrt{2} \text{Adf}(5,3)-\frac{1}{3} \sqrt{\frac{2}{7}} \text{Adf}(3,3) }$ | $\color{darkred}{ 2 \sqrt{\frac{2}{35}} \text{Adf}(1,0)+\frac{1}{3} \sqrt{\frac{2}{35}} \text{Adf}(3,0)-\frac{5}{33} \sqrt{\frac{10}{7}} \text{Adf}(5,0) }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ \frac{5}{33} \sqrt{2} \text{Bdf}(5,3)-\frac{1}{3} \sqrt{\frac{2}{7}} \text{Bdf}(3,3) }$ | $0$ | $\frac{1}{33} \sqrt{14} \text{Aff}(4,3)+\frac{5}{143} \sqrt{42} \text{Aff}(6,3)$ | $\text{Aff}(0,0)+\frac{1}{5} \text{Aff}(2,0)+\frac{1}{33} \text{Aff}(4,0)-\frac{25}{143} \text{Aff}(6,0)$ | $0$ | $0$ | $\frac{1}{33} \sqrt{14} \text{Bff}(4,3)+\frac{5}{143} \sqrt{42} \text{Bff}(6,3)$ | $0$ |
+^ $f_{z\left(5z^2-3r^2\right)}$ | $\color{darkred}{ \frac{\text{Asf}(3,0)}{\sqrt{7}} }$ | $0$ | $\frac{3}{5} \sqrt{\frac{3}{7}} \text{Apf}(2,0)+\frac{4 \text{Apf}(4,0)}{3 \sqrt{21}}$ | $0$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ \frac{3 \text{Adf}(1,0)}{\sqrt{35}}+\frac{4 \text{Adf}(3,0)}{3 \sqrt{35}}+\frac{10}{33} \sqrt{\frac{5}{7}} \text{Adf}(5,0) }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\frac{10}{143} \sqrt{\frac{14}{3}} \text{Bff}(6,3)-\frac{1}{11} \sqrt{14} \text{Bff}(4,3)$ | $0$ | $0$ | $\text{Aff}(0,0)+\frac{4}{15} \text{Aff}(2,0)+\frac{2}{11} \text{Aff}(4,0)+\frac{100}{429} \text{Aff}(6,0)$ | $0$ | $0$ | $\frac{1}{11} \sqrt{14} \text{Aff}(4,3)-\frac{10}{143} \sqrt{\frac{14}{3}} \text{Aff}(6,3)$ |
+^ $f_{x\left(5z^2-r^2\right)}$ | $\color{darkred}{ 0 }$ | $0$ | $0$ | $\frac{3}{5} \sqrt{\frac{2}{7}} \text{Apf}(2,0)-\frac{1}{3} \sqrt{\frac{2}{7}} \text{Apf}(4,0)$ | $\color{darkred}{ \frac{5}{33} \sqrt{2} \text{Bdf}(5,3)-\frac{1}{3} \sqrt{\frac{2}{7}} \text{Bdf}(3,3) }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 2 \sqrt{\frac{2}{35}} \text{Adf}(1,0)+\frac{1}{3} \sqrt{\frac{2}{35}} \text{Adf}(3,0)-\frac{5}{33} \sqrt{\frac{10}{7}} \text{Adf}(5,0) }$ | $\color{darkred}{ \frac{1}{3} \sqrt{\frac{2}{7}} \text{Adf}(3,3)-\frac{5}{33} \sqrt{2} \text{Adf}(5,3) }$ | $0$ | $\frac{1}{33} \sqrt{14} \text{Bff}(4,3)+\frac{5}{143} \sqrt{42} \text{Bff}(6,3)$ | $0$ | $0$ | $\text{Aff}(0,0)+\frac{1}{5} \text{Aff}(2,0)+\frac{1}{33} \text{Aff}(4,0)-\frac{25}{143} \text{Aff}(6,0)$ | $-\frac{1}{33} \sqrt{14} \text{Aff}(4,3)-\frac{5}{143} \sqrt{42} \text{Aff}(6,3)$ | $0$ |
+^ $f_{z\left(x^2-y^2\right)}$ | $\color{darkred}{ 0 }$ | $\frac{1}{3} \text{Bpf}(4,3)$ | $0$ | $-\frac{1}{3} \text{Apf}(4,3)$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ \frac{1}{3} \sqrt{\frac{5}{7}} \text{Bdf}(3,3)+\frac{4}{33} \sqrt{5} \text{Bdf}(5,3) }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ -\frac{1}{3} \sqrt{\frac{5}{7}} \text{Adf}(3,3)-\frac{4}{33} \sqrt{5} \text{Adf}(5,3) }$ | $\color{darkred}{ \frac{\text{Adf}(1,0)}{\sqrt{7}}-\frac{2 \text{Adf}(3,0)}{3 \sqrt{7}}+\frac{5 \text{Adf}(5,0)}{33 \sqrt{7}} }$ | $0$ | $0$ | $\frac{1}{33} \sqrt{14} \text{Bff}(4,3)+\frac{5}{143} \sqrt{42} \text{Bff}(6,3)$ | $0$ | $-\frac{1}{33} \sqrt{14} \text{Aff}(4,3)-\frac{5}{143} \sqrt{42} \text{Aff}(6,3)$ | $\text{Aff}(0,0)-\frac{7}{33} \text{Aff}(4,0)+\frac{10}{143} \text{Aff}(6,0)$ | $0$ |
+^ $f_{x\left(x^2-3y^2\right)}$ | $\color{darkred}{ -\sqrt{\frac{2}{7}} \text{Asf}(3,3) }$ | $0$ | $-\frac{1}{3} \sqrt{\frac{2}{3}} \text{Apf}(4,3)$ | $0$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ \frac{1}{3} \sqrt{\frac{10}{7}} \text{Adf}(3,3)-\frac{2}{33} \sqrt{10} \text{Adf}(5,3) }$ | $\color{darkred}{ 0 }$ | $\color{darkred}{ 0 }$ | $-\frac{10}{13} \sqrt{\frac{7}{33}} \text{Bff}(6,6)$ | $0$ | $0$ | $\frac{1}{11} \sqrt{14} \text{Aff}(4,3)-\frac{10}{143} \sqrt{\frac{14}{3}} \text{Aff}(6,3)$ | $0$ | $0$ | $\text{Aff}(0,0)-\frac{1}{3} \text{Aff}(2,0)+\frac{1}{11} \text{Aff}(4,0)-\frac{5}{429} \text{Aff}(6,0)+\frac{10}{13} \sqrt{\frac{7}{33}} \text{Aff}(6,6)$ |
+###
+===== Coupling for a single shell =====
+###
+Although the parameters  $A_{l'',l'}(k,m)$  uniquely define the potential, there is no simple relation between these paramters and the eigenstates of the potential. In this section we replace the parameters  $A_{l'',l'}(k,m)$  by paramters that relate to the eigen energies of the potential acting on or between two shells with angular momentum  $l''$  and  $l'$ .
+###
+###
+Click on one of the subsections to expand it or <hiddenSwitch expand all>
+###
+==== Potential for s orbitals ====
+<hidden **Potential parameterized with onsite energies of irriducible representations** >
+###
+ $$A_{k,m} = \begin{cases}
+ \text{Ea} & k=0\land m=0 \\
+& \text{True}
+\end{cases}$$
+###
+</hidden>
+<hidden **Input format suitable for Mathematica (Quanty.nb)** >
+###
+<code Quanty Akm_C3_Z.Quanty.nb>
+Akm[k_,m_]:=Piecewise[{{Ea, k == 0 && m == 0}}, 0]
+</code>
+###
+</hidden><hidden **Input format suitable for Quanty** >
+###
+<code Quanty Akm_C3_Z.Quanty>
+Akm = {{0, 0, Ea} }
+</code>
+###
+</hidden>
+<hidden **The Hamiltonian on a basis of spherical Harmonics** >
+###
+|    ^   ${Y_{0}^{(0)}}$   ^
+^ ${Y_{0}^{(0)}}$ | $\text{Ea}$ |
+###
+</hidden>
+<hidden **The Hamiltonian on a basis of symmetric functions** >
+###
+|    ^   $\text{s}$   ^
+^ $\text{s}$ | $\text{Ea}$ |
+###
+</hidden>
+<hidden **Rotation matrix used** >
+###
+|    ^   ${Y_{0}^{(0)}}$   ^
+^ $\text{s}$ | $1$ |
+###
+</hidden>
+<hidden **Irriducible representations and their onsite energy** >
+###
+^ ^ $\text{Ea}$  | {{:physics_chemistry:pointgroup:c3_z_orb_0_1.png?150}} |
+| $\psi(\theta,\phi)=\phantom{\sqrt{\frac{1}{1}}}$  | $\frac{1}{2 \sqrt{\pi }}$  | ::: |
+| $\psi(\hat{x},\hat{y},\hat{z})=\phantom{\sqrt{\frac{1}{1}}}$  | $\frac{1}{2 \sqrt{\pi }}$  | ::: |
+###
+</hidden>
+==== Potential for p orbitals ====
+<hidden **Potential parameterized with onsite energies of irriducible representations** >
+###
+ $$A_{k,m} = \begin{cases}
+ \frac{1}{3} (\text{Ea}+2 \text{Ee}) & k=0\land m=0 \\
+& k\neq 2\lor m\neq 0 \\
+ \frac{5 (\text{Ea}-\text{Ee})}{3} & \text{True}
+\end{cases}$$
+###
+</hidden>
+<hidden **Input format suitable for Mathematica (Quanty.nb)** >
+###
+<code Quanty Akm_C3_Z.Quanty.nb>
+Akm[k_,m_]:=Piecewise[{{(Ea + 2*Ee)/3, k == 0 && m == 0}, {0, k != 2 || m != 0}}, (5*(Ea - Ee))/3]
+</code>
+###
+</hidden><hidden **Input format suitable for Quanty** >
+###
+<code Quanty Akm_C3_Z.Quanty>
+Akm = {{0, 0, (1/3)*(Ea + (2)*(Ee))} ,
+       {2, 0, (5/3)*(Ea + (-1)*(Ee))} }
+</code>
+###
+</hidden>
+<hidden **The Hamiltonian on a basis of spherical Harmonics** >
+###
+|    ^   ${Y_{-1}^{(1)}}$   ^   ${Y_{0}^{(1)}}$   ^   ${Y_{1}^{(1)}}$   ^
+^ ${Y_{-1}^{(1)}}$ | $\text{Ee}$ | $0$ | $0$ |
+^ ${Y_{0}^{(1)}}$ | $0$ | $\text{Ea}$ | $0$ |
+^ ${Y_{1}^{(1)}}$ | $0$ | $0$ | $\text{Ee}$ |
+###
+</hidden>
+<hidden **The Hamiltonian on a basis of symmetric functions** >
+###
+|    ^   $p_y$   ^   $p_z$   ^   $p_x$   ^
+^ $p_y$ | $\text{Ee}$ | $0$ | $0$ |
+^ $p_z$ | $0$ | $\text{Ea}$ | $0$ |
+^ $p_x$ | $0$ | $0$ | $\text{Ee}$ |
+###
+</hidden>
+<hidden **Rotation matrix used** >
+###
+|    ^   ${Y_{-1}^{(1)}}$   ^   ${Y_{0}^{(1)}}$   ^   ${Y_{1}^{(1)}}$   ^
+^ $p_y$ | $\frac{i}{\sqrt{2}}$ | $0$ | $\frac{i}{\sqrt{2}}$ |
+^ $p_z$ | $0$ | $1$ | $0$ |
+^ $p_x$ | $\frac{1}{\sqrt{2}}$ | $0$ | $-\frac{1}{\sqrt{2}}$ |
+###
+</hidden>
+<hidden **Irriducible representations and their onsite energy** >
+###
+^ ^ $\text{Ee}$  | {{:physics_chemistry:pointgroup:c3_z_orb_1_1.png?150}} |
+| $\psi(\theta,\phi)=\phantom{\sqrt{\frac{1}{1}}}$  | $\frac{1}{2} \sqrt{\frac{3}{\pi }} \sin (\theta ) \sin (\phi )$  | ::: |
+| $\psi(\hat{x},\hat{y},\hat{z})=\phantom{\sqrt{\frac{1}{1}}}$  | $\frac{1}{2} \sqrt{\frac{3}{\pi }} y$  | ::: |
+^ ^ $\text{Ea}$  | {{:physics_chemistry:pointgroup:c3_z_orb_1_2.png?150}} |
+| $\psi(\theta,\phi)=\phantom{\sqrt{\frac{1}{1}}}$  | $\frac{1}{2} \sqrt{\frac{3}{\pi }} \cos (\theta )$  | ::: |
+| $\psi(\hat{x},\hat{y},\hat{z})=\phantom{\sqrt{\frac{1}{1}}}$  | $\frac{1}{2} \sqrt{\frac{3}{\pi }} z$  | ::: |
+^ ^ $\text{Ee}$  | {{:physics_chemistry:pointgroup:c3_z_orb_1_3.png?150}} |
+| $\psi(\theta,\phi)=\phantom{\sqrt{\frac{1}{1}}}$  | $\frac{1}{2} \sqrt{\frac{3}{\pi }} \sin (\theta ) \cos (\phi )$  | ::: |
+| $\psi(\hat{x},\hat{y},\hat{z})=\phantom{\sqrt{\frac{1}{1}}}$  | $\frac{1}{2} \sqrt{\frac{3}{\pi }} x$  | ::: |
+###
+</hidden>
+==== Potential for d orbitals ====
+<hidden **Potential parameterized with onsite energies of irriducible representations** >
+###
+ $$A_{k,m} = \begin{cases}
+ \frac{1}{5} (\text{Ea}+2 (\text{Ee1}+\text{Ee2})) & k=0\land m=0 \\
+& (k\neq 4\land (k\neq 2\lor m\neq 0))\lor (m\neq -3\land m\neq 0\land m\neq 3) \\
+ \text{Ea}+\text{Ee1}-2 \text{Ee2} & k=2\land m=0 \\
+i \sqrt{\frac{7}{5}} (\text{MeIm}+i \text{MeRe}) & k=4\land m=-3 \\
+ \frac{3}{5} (3 \text{Ea}-4 \text{Ee1}+\text{Ee2}) & k=4\land m=0 \\
+\sqrt{\frac{7}{5}} (\text{MeRe}+i \text{MeIm}) & \text{True}
+\end{cases}$$
+###
+</hidden>
+<hidden **Input format suitable for Mathematica (Quanty.nb)** >
+###
+<code Quanty Akm_C3_Z.Quanty.nb>
+Akm[k_,m_]:=Piecewise[{{(Ea + 2*(Ee1 + Ee2))/5, k == 0 && m == 0}, {0, (k != 4 && (k != 2 || m != 0)) || (m != -3 && m != 0 && m != 3)}, {Ea + Ee1 - 2*Ee2, k == 2 && m == 0}, {(3*I)*Sqrt[7/5]*(MeIm + I*MeRe), k == 4 && m == -3}, {(3*(3*Ea - 4*Ee1 + Ee2))/5, k == 4 && m == 0}}, 3*Sqrt[7/5]*(I*MeIm + MeRe)]
+</code>
+###
+</hidden><hidden **Input format suitable for Quanty** >
+###
+<code Quanty Akm_C3_Z.Quanty>
+Akm = {{0, 0, (1/5)*(Ea + (2)*(Ee1 + Ee2))} ,
+       {2, 0, Ea + Ee1 + (-2)*(Ee2)} ,
+       {4, 0, (3/5)*((3)*(Ea) + (-4)*(Ee1) + Ee2)} ,
+       {4,-3, (3*I)*((sqrt(7/5))*(MeIm + (I)*(MeRe)))} ,
+       {4, 3, (3)*((sqrt(7/5))*((I)*(MeIm) + MeRe))} }
+</code>
+###
+</hidden>
+<hidden **The Hamiltonian on a basis of spherical Harmonics** >
+###
+|    ^   ${Y_{-2}^{(2)}}$   ^   ${Y_{-1}^{(2)}}$   ^   ${Y_{0}^{(2)}}$   ^   ${Y_{1}^{(2)}}$   ^   ${Y_{2}^{(2)}}$   ^
+^ ${Y_{-2}^{(2)}}$ | $\text{Ee2}$ | $0$ | $0$ | $\text{MeRe}-i \text{MeIm}$ | $0$ |
+^ ${Y_{-1}^{(2)}}$ | $0$ | $\text{Ee1}$ | $0$ | $0$ | $-\text{MeRe}+i \text{MeIm}$ |
+^ ${Y_{0}^{(2)}}$ | $0$ | $0$ | $\text{Ea}$ | $0$ | $0$ |
+^ ${Y_{1}^{(2)}}$ | $\text{MeRe}+i \text{MeIm}$ | $0$ | $0$ | $\text{Ee1}$ | $0$ |
+^ ${Y_{2}^{(2)}}$ | $0$ | $-\text{MeRe}-i \text{MeIm}$ | $0$ | $0$ | $\text{Ee2}$ |
+###
+</hidden>
+<hidden **The Hamiltonian on a basis of symmetric functions** >
+###
+|    ^   $d_{\text{xy}}$   ^   $d_{\text{yz}}$   ^   $d_{3z^2-r^2}$   ^   $d_{\text{xz}}$   ^   $d_{x^2-y^2}$   ^
+^ $d_{\text{xy}}$ | $\text{Ee2}$ | $\text{MeRe}$ | $0$ | $\text{MeIm}$ | $0$ |
+^ $d_{\text{yz}}$ | $\text{MeRe}$ | $\text{Ee1}$ | $0$ | $0$ | $\text{MeIm}$ |
+^ $d_{3z^2-r^2}$ | $0$ | $0$ | $\text{Ea}$ | $0$ | $0$ |
+^ $d_{\text{xz}}$ | $\text{MeIm}$ | $0$ | $0$ | $\text{Ee1}$ | $-\text{MeRe}$ |
+^ $d_{x^2-y^2}$ | $0$ | $\text{MeIm}$ | $0$ | $-\text{MeRe}$ | $\text{Ee2}$ |
+###
+</hidden>
+<hidden **Rotation matrix used** >
+###
+|    ^   ${Y_{-2}^{(2)}}$   ^   ${Y_{-1}^{(2)}}$   ^   ${Y_{0}^{(2)}}$   ^   ${Y_{1}^{(2)}}$   ^   ${Y_{2}^{(2)}}$   ^
+^ $d_{\text{xy}}$ | $\frac{i}{\sqrt{2}}$ | $0$ | $0$ | $0$ | $-\frac{i}{\sqrt{2}}$ |
+^ $d_{\text{yz}}$ | $0$ | $\frac{i}{\sqrt{2}}$ | $0$ | $\frac{i}{\sqrt{2}}$ | $0$ |
+^ $d_{3z^2-r^2}$ | $0$ | $0$ | $1$ | $0$ | $0$ |
+^ $d_{\text{xz}}$ | $0$ | $\frac{1}{\sqrt{2}}$ | $0$ | $-\frac{1}{\sqrt{2}}$ | $0$ |
+^ $d_{x^2-y^2}$ | $\frac{1}{\sqrt{2}}$ | $0$ | $0$ | $0$ | $\frac{1}{\sqrt{2}}$ |
+###
+</hidden>
+<hidden **Irriducible representations and their onsite energy** >
+###
+^ ^ $\text{Ee2}$  | {{:physics_chemistry:pointgroup:c3_z_orb_2_1.png?150}} |
+| $\psi(\theta,\phi)=\phantom{\sqrt{\frac{1}{1}}}$  | $\frac{1}{4} \sqrt{\frac{15}{\pi }} \sin ^2(\theta ) \sin (2 \phi )$  | ::: |
+| $\psi(\hat{x},\hat{y},\hat{z})=\phantom{\sqrt{\frac{1}{1}}}$  | $\frac{1}{2} \sqrt{\frac{15}{\pi }} x y$  | ::: |
+^ ^ $\text{Ee1}$  | {{:physics_chemistry:pointgroup:c3_z_orb_2_2.png?150}} |
+| $\psi(\theta,\phi)=\phantom{\sqrt{\frac{1}{1}}}$  | $\frac{1}{4} \sqrt{\frac{15}{\pi }} \sin (2 \theta ) \sin (\phi )$  | ::: |
+| $\psi(\hat{x},\hat{y},\hat{z})=\phantom{\sqrt{\frac{1}{1}}}$  | $\frac{1}{2} \sqrt{\frac{15}{\pi }} y z$  | ::: |
+^ ^ $\text{Ea}$  | {{:physics_chemistry:pointgroup:c3_z_orb_2_3.png?150}} |
+| $\psi(\theta,\phi)=\phantom{\sqrt{\frac{1}{1}}}$  | $\frac{1}{8} \sqrt{\frac{5}{\pi }} (3 \cos (2 \theta )+1)$  | ::: |
+| $\psi(\hat{x},\hat{y},\hat{z})=\phantom{\sqrt{\frac{1}{1}}}$  | $\frac{1}{4} \sqrt{\frac{5}{\pi }} \left(3 z^2-1\right)$  | ::: |
+^ ^ $\text{Ee1}$  | {{:physics_chemistry:pointgroup:c3_z_orb_2_4.png?150}} |
+| $\psi(\theta,\phi)=\phantom{\sqrt{\frac{1}{1}}}$  | $\frac{1}{4} \sqrt{\frac{15}{\pi }} \sin (2 \theta ) \cos (\phi )$  | ::: |
+| $\psi(\hat{x},\hat{y},\hat{z})=\phantom{\sqrt{\frac{1}{1}}}$  | $\frac{1}{2} \sqrt{\frac{15}{\pi }} x z$  | ::: |
+^ ^ $\text{Ee2}$  | {{:physics_chemistry:pointgroup:c3_z_orb_2_5.png?150}} |
+| $\psi(\theta,\phi)=\phantom{\sqrt{\frac{1}{1}}}$  | $\frac{1}{4} \sqrt{\frac{15}{\pi }} \sin ^2(\theta ) \cos (2 \phi )$  | ::: |
+| $\psi(\hat{x},\hat{y},\hat{z})=\phantom{\sqrt{\frac{1}{1}}}$  | $\frac{1}{4} \sqrt{\frac{15}{\pi }} \left(x^2-y^2\right)$  | ::: |
+###
+</hidden>
+==== Potential for f orbitals ====
+<hidden **Potential parameterized with onsite energies of irriducible representations** >
+###
+ $$A_{k,m} = \begin{cases}
+ \frac{1}{7} (\text{Eaxx23y2}+\text{Eaz3}+\text{Eaz3x2y2}+2 \text{Ee1}+2 \text{Ee2}) & k=0\land m=0 \\
+& (k\neq 6\land (((k\neq 2\lor m\neq 0)\land k\neq 4)\lor (m\neq -3\land m\neq 0\land m\neq 3)))\lor (m\neq -6\land m\neq -3\land m\neq 0\land m\neq 3\land m\neq 6) \\
+ -\frac{5}{28} (5 \text{Eaxx23y2}-4 \text{Eaz3}+5 \text{Eaz3x2y2}-6 \text{Ee1}) & k=2\land m=0 \\
+ -\frac{3 (3 \text{Maxx2y2z3}+3 i \text{Maz3y3x2y2}-2 i \text{MeIm}+2 \text{MeRe})}{\sqrt{14}} & k=4\land m=-3 \\
+ \frac{3}{14} (3 \text{Eaxx23y2}+6 \text{Eaz3}+3 \text{Eaz3x2y2}+2 \text{Ee1}-14 \text{Ee2}) & k=4\land m=0 \\
+ \frac{9 \text{Maxx2y2z3}-9 i \text{Maz3y3x2y2}+6 i \text{MeIm}+6 \text{MeRe}}{\sqrt{14}} & k=4\land m=3 \\
+ \frac{13}{20} \sqrt{\frac{33}{7}} (\text{Eaxx23y2}-\text{Eaz3x2y2}+2 i \text{Maxx23y2y3x2y2}) & k=6\land m=-6 \\
+ \frac{13}{5} \sqrt{\frac{3}{14}} (\text{Maxx2y2z3}+i (\text{Maz3y3x2y2}+3 \text{MeIm}+3 i \text{MeRe})) & k=6\land m=-3 \\
+ -\frac{13}{140} (\text{Eaxx23y2}-20 \text{Eaz3}+\text{Eaz3x2y2}+30 \text{Ee1}-12 \text{Ee2}) & k=6\land m=0 \\
+ \frac{13}{5} \sqrt{\frac{3}{14}} (-\text{Maxx2y2z3}+i \text{Maz3y3x2y2}+3 i \text{MeIm}+3 \text{MeRe}) & k=6\land m=3 \\
+ \frac{13}{20} \sqrt{\frac{33}{7}} (\text{Eaxx23y2}-\text{Eaz3x2y2}-2 i \text{Maxx23y2y3x2y2}) & \text{True}
+\end{cases}$$
+###
+</hidden>
+<hidden **Input format suitable for Mathematica (Quanty.nb)** >
+###
+<code Quanty Akm_C3_Z.Quanty.nb>
+Akm[k_,m_]:=Piecewise[{{(Eaxx23y2 + Eaz3 + Eaz3x2y2 + 2*Ee1 + 2*Ee2)/7, k == 0 && m == 0}, {0, (k != 6 && (((k != 2 || m != 0) && k != 4) || (m != -3 && m != 0 && m != 3))) || (m != -6 && m != -3 && m != 0 && m != 3 && m != 6)}, {(-5*(5*Eaxx23y2 - 4*Eaz3 + 5*Eaz3x2y2 - 6*Ee1))/28, k == 2 && m == 0}, {(-3*(3*Maxx2y2z3 + (3*I)*Maz3y3x2y2 - (2*I)*MeIm + 2*MeRe))/Sqrt[14], k == 4 && m == -3}, {(3*(3*Eaxx23y2 + 6*Eaz3 + 3*Eaz3x2y2 + 2*Ee1 - 14*Ee2))/14, k == 4 && m == 0}, {(9*Maxx2y2z3 - (9*I)*Maz3y3x2y2 + (6*I)*MeIm + 6*MeRe)/Sqrt[14], k == 4 && m == 3}, {(13*Sqrt[33/7]*(Eaxx23y2 - Eaz3x2y2 + (2*I)*Maxx23y2y3x2y2))/20, k == 6 && m == -6}, {(13*Sqrt[3/14]*(Maxx2y2z3 + I*(Maz3y3x2y2 + 3*MeIm + (3*I)*MeRe)))/5, k == 6 && m == -3}, {(-13*(Eaxx23y2 - 20*Eaz3 + Eaz3x2y2 + 30*Ee1 - 12*Ee2))/140, k == 6 && m == 0}, {(13*Sqrt[3/14]*(-Maxx2y2z3 + I*Maz3y3x2y2 + (3*I)*MeIm + 3*MeRe))/5, k == 6 && m == 3}}, (13*Sqrt[33/7]*(Eaxx23y2 - Eaz3x2y2 - (2*I)*Maxx23y2y3x2y2))/20]
+</code>
+###
+</hidden><hidden **Input format suitable for Quanty** >
+###
+<code Quanty Akm_C3_Z.Quanty>
+Akm = {{0, 0, (1/7)*(Eaxx23y2 + Eaz3 + Eaz3x2y2 + (2)*(Ee1) + (2)*(Ee2))} ,
+       {2, 0, (-5/28)*((5)*(Eaxx23y2) + (-4)*(Eaz3) + (5)*(Eaz3x2y2) + (-6)*(Ee1))} ,
+       {4, 0, (3/14)*((3)*(Eaxx23y2) + (6)*(Eaz3) + (3)*(Eaz3x2y2) + (2)*(Ee1) + (-14)*(Ee2))} ,
+       {4, 3, (1/(sqrt(14)))*((9)*(Maxx2y2z3) + (-9*I)*(Maz3y3x2y2) + (6*I)*(MeIm) + (6)*(MeRe))} ,
+       {4,-3, (-3)*((1/(sqrt(14)))*((3)*(Maxx2y2z3) + (3*I)*(Maz3y3x2y2) + (-2*I)*(MeIm) + (2)*(MeRe)))} ,
+       {6, 0, (-13/140)*(Eaxx23y2 + (-20)*(Eaz3) + Eaz3x2y2 + (30)*(Ee1) + (-12)*(Ee2))} ,
+       {6, 3, (13/5)*((sqrt(3/14))*((-1)*(Maxx2y2z3) + (I)*(Maz3y3x2y2) + (3*I)*(MeIm) + (3)*(MeRe)))} ,
+       {6,-3, (13/5)*((sqrt(3/14))*(Maxx2y2z3 + (I)*(Maz3y3x2y2 + (3)*(MeIm) + (3*I)*(MeRe))))} ,
+       {6, 6, (13/20)*((sqrt(33/7))*(Eaxx23y2 + (-1)*(Eaz3x2y2) + (-2*I)*(Maxx23y2y3x2y2)))} ,
+       {6,-6, (13/20)*((sqrt(33/7))*(Eaxx23y2 + (-1)*(Eaz3x2y2) + (2*I)*(Maxx23y2y3x2y2)))} }
+</code>
+###
+</hidden>
+<hidden **The Hamiltonian on a basis of spherical Harmonics** >
+###
+|    ^   ${Y_{-3}^{(3)}}$   ^   ${Y_{-2}^{(3)}}$   ^   ${Y_{-1}^{(3)}}$   ^   ${Y_{0}^{(3)}}$   ^   ${Y_{1}^{(3)}}$   ^   ${Y_{2}^{(3)}}$   ^   ${Y_{3}^{(3)}}$   ^
+^ ${Y_{-3}^{(3)}}$ | $\frac{\text{Eaxx23y2}+\text{Eaz3x2y2}}{2}$ | $0$ | $0$ | $\frac{\text{Maxx2y2z3}+i \text{Maz3y3x2y2}}{\sqrt{2}}$ | $0$ | $0$ | $\frac{1}{2} (-\text{Eaxx23y2}+\text{Eaz3x2y2}-2 i \text{Maxx23y2y3x2y2})$ |
+^ ${Y_{-2}^{(3)}}$ | $0$ | $\text{Ee2}$ | $0$ | $0$ | $\text{MeRe}-i \text{MeIm}$ | $0$ | $0$ |
+^ ${Y_{-1}^{(3)}}$ | $0$ | $0$ | $\text{Ee1}$ | $0$ | $0$ | $-\text{MeRe}+i \text{MeIm}$ | $0$ |
+^ ${Y_{0}^{(3)}}$ | $\frac{\text{Maxx2y2z3}-i \text{Maz3y3x2y2}}{\sqrt{2}}$ | $0$ | $0$ | $\text{Eaz3}$ | $0$ | $0$ | $-\frac{\text{Maxx2y2z3}+i \text{Maz3y3x2y2}}{\sqrt{2}}$ |
+^ ${Y_{1}^{(3)}}$ | $0$ | $\text{MeRe}+i \text{MeIm}$ | $0$ | $0$ | $\text{Ee1}$ | $0$ | $0$ |
+^ ${Y_{2}^{(3)}}$ | $0$ | $0$ | $-\text{MeRe}-i \text{MeIm}$ | $0$ | $0$ | $\text{Ee2}$ | $0$ |
+^ ${Y_{3}^{(3)}}$ | $\frac{1}{2} (-\text{Eaxx23y2}+\text{Eaz3x2y2}+2 i \text{Maxx23y2y3x2y2})$ | $0$ | $0$ | $-\frac{\text{Maxx2y2z3}-i \text{Maz3y3x2y2}}{\sqrt{2}}$ | $0$ | $0$ | $\frac{\text{Eaxx23y2}+\text{Eaz3x2y2}}{2}$ |
+###
+</hidden>
+<hidden **The Hamiltonian on a basis of symmetric functions** >
+###
+|    ^   $f_{y\left(3x^2-y^2\right)}$   ^   $f_{\text{xyz}}$   ^   $f_{y\left(5z^2-r^2\right)}$   ^   $f_{z\left(5z^2-3r^2\right)}$   ^   $f_{x\left(5z^2-r^2\right)}$   ^   $f_{z\left(x^2-y^2\right)}$   ^   $f_{x\left(x^2-3y^2\right)}$   ^
+^ $f_{y\left(3x^2-y^2\right)}$ | $\text{Eaz3x2y2}$ | $0$ | $0$ | $\text{Maz3y3x2y2}$ | $0$ | $0$ | $\text{Maxx23y2y3x2y2}$ |
+^ $f_{\text{xyz}}$ | $0$ | $\text{Ee2}$ | $\text{MeRe}$ | $0$ | $\text{MeIm}$ | $0$ | $0$ |
+^ $f_{y\left(5z^2-r^2\right)}$ | $0$ | $\text{MeRe}$ | $\text{Ee1}$ | $0$ | $0$ | $\text{MeIm}$ | $0$ |
+^ $f_{z\left(5z^2-3r^2\right)}$ | $\text{Maz3y3x2y2}$ | $0$ | $0$ | $\text{Eaz3}$ | $0$ | $0$ | $\text{Maxx2y2z3}$ |
+^ $f_{x\left(5z^2-r^2\right)}$ | $0$ | $\text{MeIm}$ | $0$ | $0$ | $\text{Ee1}$ | $-\text{MeRe}$ | $0$ |
+^ $f_{z\left(x^2-y^2\right)}$ | $0$ | $0$ | $\text{MeIm}$ | $0$ | $-\text{MeRe}$ | $\text{Ee2}$ | $0$ |
+^ $f_{x\left(x^2-3y^2\right)}$ | $\text{Maxx23y2y3x2y2}$ | $0$ | $0$ | $\text{Maxx2y2z3}$ | $0$ | $0$ | $\text{Eaxx23y2}$ |
+###
+</hidden>
+<hidden **Rotation matrix used** >
+###
+|    ^   ${Y_{-3}^{(3)}}$   ^   ${Y_{-2}^{(3)}}$   ^   ${Y_{-1}^{(3)}}$   ^   ${Y_{0}^{(3)}}$   ^   ${Y_{1}^{(3)}}$   ^   ${Y_{2}^{(3)}}$   ^   ${Y_{3}^{(3)}}$   ^
+^ $f_{y\left(3x^2-y^2\right)}$ | $\frac{i}{\sqrt{2}}$ | $0$ | $0$ | $0$ | $0$ | $0$ | $\frac{i}{\sqrt{2}}$ |
+^ $f_{\text{xyz}}$ | $0$ | $\frac{i}{\sqrt{2}}$ | $0$ | $0$ | $0$ | $-\frac{i}{\sqrt{2}}$ | $0$ |
+^ $f_{y\left(5z^2-r^2\right)}$ | $0$ | $0$ | $\frac{i}{\sqrt{2}}$ | $0$ | $\frac{i}{\sqrt{2}}$ | $0$ | $0$ |
+^ $f_{z\left(5z^2-3r^2\right)}$ | $0$ | $0$ | $0$ | $1$ | $0$ | $0$ | $0$ |
+^ $f_{x\left(5z^2-r^2\right)}$ | $0$ | $0$ | $\frac{1}{\sqrt{2}}$ | $0$ | $-\frac{1}{\sqrt{2}}$ | $0$ | $0$ |
+^ $f_{z\left(x^2-y^2\right)}$ | $0$ | $\frac{1}{\sqrt{2}}$ | $0$ | $0$ | $0$ | $\frac{1}{\sqrt{2}}$ | $0$ |
+^ $f_{x\left(x^2-3y^2\right)}$ | $\frac{1}{\sqrt{2}}$ | $0$ | $0$ | $0$ | $0$ | $0$ | $-\frac{1}{\sqrt{2}}$ |
+###
+</hidden>
+<hidden **Irriducible representations and their onsite energy** >
+###
+^ ^ $\text{Eaz3x2y2}$  | {{:physics_chemistry:pointgroup:c3_z_orb_3_1.png?150}} |
+| $\psi(\theta,\phi)=\phantom{\sqrt{\frac{1}{1}}}$  | $\frac{1}{4} \sqrt{\frac{35}{2 \pi }} \sin ^3(\theta ) \sin (3 \phi )$  | ::: |
+| $\psi(\hat{x},\hat{y},\hat{z})=\phantom{\sqrt{\frac{1}{1}}}$  | $-\frac{1}{4} \sqrt{\frac{35}{2 \pi }} y \left(y^2-3 x^2\right)$  | ::: |
+^ ^ $\text{Ee2}$  | {{:physics_chemistry:pointgroup:c3_z_orb_3_2.png?150}} |
+| $\psi(\theta,\phi)=\phantom{\sqrt{\frac{1}{1}}}$  | $\frac{1}{4} \sqrt{\frac{105}{\pi }} \sin ^2(\theta ) \cos (\theta ) \sin (2 \phi )$  | ::: |
+| $\psi(\hat{x},\hat{y},\hat{z})=\phantom{\sqrt{\frac{1}{1}}}$  | $\frac{1}{2} \sqrt{\frac{105}{\pi }} x y z$  | ::: |
+^ ^ $\text{Ee1}$  | {{:physics_chemistry:pointgroup:c3_z_orb_3_3.png?150}} |
+| $\psi(\theta,\phi)=\phantom{\sqrt{\frac{1}{1}}}$  | $\frac{1}{8} \sqrt{\frac{21}{2 \pi }} \sin (\theta ) (5 \cos (2 \theta )+3) \sin (\phi )$  | ::: |
+| $\psi(\hat{x},\hat{y},\hat{z})=\phantom{\sqrt{\frac{1}{1}}}$  | $\frac{1}{4} \sqrt{\frac{21}{2 \pi }} y \left(5 z^2-1\right)$  | ::: |
+^ ^ $\text{Eaz3}$  | {{:physics_chemistry:pointgroup:c3_z_orb_3_4.png?150}} |
+| $\psi(\theta,\phi)=\phantom{\sqrt{\frac{1}{1}}}$  | $\frac{1}{16} \sqrt{\frac{7}{\pi }} (3 \cos (\theta )+5 \cos (3 \theta ))$  | ::: |
+| $\psi(\hat{x},\hat{y},\hat{z})=\phantom{\sqrt{\frac{1}{1}}}$  | $\frac{1}{4} \sqrt{\frac{7}{\pi }} z \left(5 z^2-3\right)$  | ::: |
+^ ^ $\text{Ee1}$  | {{:physics_chemistry:pointgroup:c3_z_orb_3_5.png?150}} |
+| $\psi(\theta,\phi)=\phantom{\sqrt{\frac{1}{1}}}$  | $\frac{1}{16} \sqrt{\frac{21}{2 \pi }} (\sin (\theta )+5 \sin (3 \theta )) \cos (\phi )$  | ::: |
+| $\psi(\hat{x},\hat{y},\hat{z})=\phantom{\sqrt{\frac{1}{1}}}$  | $\frac{1}{4} \sqrt{\frac{21}{2 \pi }} x \left(5 z^2-1\right)$  | ::: |
+^ ^ $\text{Ee2}$  | {{:physics_chemistry:pointgroup:c3_z_orb_3_6.png?150}} |
+| $\psi(\theta,\phi)=\phantom{\sqrt{\frac{1}{1}}}$  | $\frac{1}{4} \sqrt{\frac{105}{\pi }} \sin ^2(\theta ) \cos (\theta ) \cos (2 \phi )$  | ::: |
+| $\psi(\hat{x},\hat{y},\hat{z})=\phantom{\sqrt{\frac{1}{1}}}$  | $\frac{1}{4} \sqrt{\frac{105}{\pi }} z \left(x^2-y^2\right)$  | ::: |
+^ ^ $\text{Eaxx23y2}$  | {{:physics_chemistry:pointgroup:c3_z_orb_3_7.png?150}} |
+| $\psi(\theta,\phi)=\phantom{\sqrt{\frac{1}{1}}}$  | $\frac{1}{4} \sqrt{\frac{35}{2 \pi }} \sin ^3(\theta ) \cos (3 \phi )$  | ::: |
+| $\psi(\hat{x},\hat{y},\hat{z})=\phantom{\sqrt{\frac{1}{1}}}$  | $\frac{1}{4} \sqrt{\frac{35}{2 \pi }} x \left(x^2-3 y^2\right)$  | ::: |
+###
+</hidden>
+===== Coupling between two shells =====
+###
+Click on one of the subsections to expand it or <hiddenSwitch expand all>
+###
+==== Potential for s-p orbital mixing ====
+<hidden **Potential parameterized with onsite energies of irriducible representations** >
+###
+ $$A_{k,m} = \begin{cases}
+& k\neq 1\lor m\neq 0 \\
+ A(1,0) & \text{True}
+\end{cases}$$
+###
+</hidden>
+<hidden **Input format suitable for Mathematica (Quanty.nb)** >
+###
+<code Quanty Akm_C3_Z.Quanty.nb>
+Akm[k_,m_]:=Piecewise[{{0, k != 1 || m != 0}}, A[1, 0]]
+</code>
+###
+</hidden><hidden **Input format suitable for Quanty** >
+###
+<code Quanty Akm_C3_Z.Quanty>
+Akm = {{1, 0, A(1,0)} }
+</code>
+###
+</hidden>
+<hidden **The Hamiltonian on a basis of spherical Harmonics** >
+###
+|    ^   ${Y_{-1}^{(1)}}$   ^   ${Y_{0}^{(1)}}$   ^   ${Y_{1}^{(1)}}$   ^
+^ ${Y_{0}^{(0)}}$ | $0$ | $\frac{A(1,0)}{\sqrt{3}}$ | $0$ |
+###
+</hidden>
+<hidden **The Hamiltonian on a basis of symmetric functions** >
+###
+|    ^   $p_y$   ^   $p_z$   ^   $p_x$   ^
+^ $\text{s}$ | $0$ | $\frac{A(1,0)}{\sqrt{3}}$ | $0$ |
+###
+</hidden>
+==== Potential for s-d orbital mixing ====
+<hidden **Potential parameterized with onsite energies of irriducible representations** >
+###
+ $$A_{k,m} = \begin{cases}
+& k\neq 2\lor m\neq 0 \\
+ A(2,0) & \text{True}
+\end{cases}$$
+###
+</hidden>
+<hidden **Input format suitable for Mathematica (Quanty.nb)** >
+###
+<code Quanty Akm_C3_Z.Quanty.nb>
+Akm[k_,m_]:=Piecewise[{{0, k != 2 || m != 0}}, A[2, 0]]
+</code>
+###
+</hidden><hidden **Input format suitable for Quanty** >
+###
+<code Quanty Akm_C3_Z.Quanty>
+Akm = {{2, 0, A(2,0)} }
+</code>
+###
+</hidden>
+<hidden **The Hamiltonian on a basis of spherical Harmonics** >
+###
+|    ^   ${Y_{-2}^{(2)}}$   ^   ${Y_{-1}^{(2)}}$   ^   ${Y_{0}^{(2)}}$   ^   ${Y_{1}^{(2)}}$   ^   ${Y_{2}^{(2)}}$   ^
+^ ${Y_{0}^{(0)}}$ | $0$ | $0$ | $\frac{A(2,0)}{\sqrt{5}}$ | $0$ | $0$ |
+###
+</hidden>
+<hidden **The Hamiltonian on a basis of symmetric functions** >
+###
+|    ^   $d_{\text{xy}}$   ^   $d_{\text{yz}}$   ^   $d_{3z^2-r^2}$   ^   $d_{\text{xz}}$   ^   $d_{x^2-y^2}$   ^
+^ $\text{s}$ | $0$ | $0$ | $\frac{A(2,0)}{\sqrt{5}}$ | $0$ | $0$ |
+###
+</hidden>
+==== Potential for s-f orbital mixing ====
+<hidden **Potential parameterized with onsite energies of irriducible representations** >
+###
+ $$A_{k,m} = \begin{cases}
+& k\neq 3\lor (m\neq -3\land m\neq 0\land m\neq 3) \\
+ -A(3,3)+i B(3,3) & k=3\land m=-3 \\
+ A(3,0) & k=3\land m=0 \\
+ A(3,3)+i B(3,3) & \text{True}
+\end{cases}$$
+###
+</hidden>
+<hidden **Input format suitable for Mathematica (Quanty.nb)** >
+###
+<code Quanty Akm_C3_Z.Quanty.nb>
+Akm[k_,m_]:=Piecewise[{{0, k != 3 || (m != -3 && m != 0 && m != 3)}, {-A[3, 3] + I*B[3, 3], k == 3 && m == -3}, {A[3, 0], k == 3 && m == 0}}, A[3, 3] + I*B[3, 3]]
+</code>
+###
+</hidden><hidden **Input format suitable for Quanty** >
+###
+<code Quanty Akm_C3_Z.Quanty>
+Akm = {{3, 0, A(3,0)} ,
+       {3,-3, (-1)*(A(3,3)) + (I)*(B(3,3))} ,
+       {3, 3, A(3,3) + (I)*(B(3,3))} }
+</code>
+###
+</hidden>
+<hidden **The Hamiltonian on a basis of spherical Harmonics** >
+###
+|    ^   ${Y_{-3}^{(3)}}$   ^   ${Y_{-2}^{(3)}}$   ^   ${Y_{-1}^{(3)}}$   ^   ${Y_{0}^{(3)}}$   ^   ${Y_{1}^{(3)}}$   ^   ${Y_{2}^{(3)}}$   ^   ${Y_{3}^{(3)}}$   ^
+^ ${Y_{0}^{(0)}}$ | $-\frac{A(3,3)+i B(3,3)}{\sqrt{7}}$ | $0$ | $0$ | $\frac{A(3,0)}{\sqrt{7}}$ | $0$ | $0$ | $\frac{A(3,3)-i B(3,3)}{\sqrt{7}}$ |
+###
+</hidden>
+<hidden **The Hamiltonian on a basis of symmetric functions** >
+###
+|    ^   $f_{y\left(3x^2-y^2\right)}$   ^   $f_{\text{xyz}}$   ^   $f_{y\left(5z^2-r^2\right)}$   ^   $f_{z\left(5z^2-3r^2\right)}$   ^   $f_{x\left(5z^2-r^2\right)}$   ^   $f_{z\left(x^2-y^2\right)}$   ^   $f_{x\left(x^2-3y^2\right)}$   ^
+^ $\text{s}$ | $\sqrt{\frac{2}{7}} B(3,3)$ | $0$ | $0$ | $\frac{A(3,0)}{\sqrt{7}}$ | $0$ | $0$ | $-\sqrt{\frac{2}{7}} A(3,3)$ |
+###
+</hidden>
+==== Potential for p-d orbital mixing ====
+<hidden **Potential parameterized with onsite energies of irriducible representations** >
+###
+ $$A_{k,m} = \begin{cases}
+& (k\neq 3\land (k\neq 1\lor m\neq 0))\lor (m\neq -3\land m\neq 0\land m\neq 3) \\
+ A(1,0) & k=1\land m=0 \\
+ -A(3,3)+i B(3,3) & k=3\land m=-3 \\
+ A(3,0) & k=3\land m=0 \\
+ A(3,3)+i B(3,3) & \text{True}
+\end{cases}$$
+###
+</hidden>
+<hidden **Input format suitable for Mathematica (Quanty.nb)** >
+###
+<code Quanty Akm_C3_Z.Quanty.nb>
+Akm[k_,m_]:=Piecewise[{{0, (k != 3 && (k != 1 || m != 0)) || (m != -3 && m != 0 && m != 3)}, {A[1, 0], k == 1 && m == 0}, {-A[3, 3] + I*B[3, 3], k == 3 && m == -3}, {A[3, 0], k == 3 && m == 0}}, A[3, 3] + I*B[3, 3]]
+</code>
+###
+</hidden><hidden **Input format suitable for Quanty** >
+###
+<code Quanty Akm_C3_Z.Quanty>
+Akm = {{1, 0, A(1,0)} ,
+       {3, 0, A(3,0)} ,
+       {3,-3, (-1)*(A(3,3)) + (I)*(B(3,3))} ,
+       {3, 3, A(3,3) + (I)*(B(3,3))} }
+</code>
+###
+</hidden>
+<hidden **The Hamiltonian on a basis of spherical Harmonics** >
+###
+|    ^   ${Y_{-2}^{(2)}}$   ^   ${Y_{-1}^{(2)}}$   ^   ${Y_{0}^{(2)}}$   ^   ${Y_{1}^{(2)}}$   ^   ${Y_{2}^{(2)}}$   ^
+^ ${Y_{-1}^{(1)}}$ | $0$ | $\frac{7 A(1,0)-3 A(3,0)}{7 \sqrt{5}}$ | $0$ | $0$ | $-\frac{3}{7} (A(3,3)-i B(3,3))$ |
+^ ${Y_{0}^{(1)}}$ | $0$ | $0$ | $\frac{14 A(1,0)+9 A(3,0)}{7 \sqrt{15}}$ | $0$ | $0$ |
+^ ${Y_{1}^{(1)}}$ | $\frac{3}{7} (A(3,3)+i B(3,3))$ | $0$ | $0$ | $\frac{7 A(1,0)-3 A(3,0)}{7 \sqrt{5}}$ | $0$ |
+###
+</hidden>
+<hidden **The Hamiltonian on a basis of symmetric functions** >
+###
+|    ^   $d_{\text{xy}}$   ^   $d_{\text{yz}}$   ^   $d_{3z^2-r^2}$   ^   $d_{\text{xz}}$   ^   $d_{x^2-y^2}$   ^
+^ $p_y$ | $\frac{3}{7} A(3,3)$ | $\frac{7 A(1,0)-3 A(3,0)}{7 \sqrt{5}}$ | $0$ | $0$ | $\frac{3}{7} B(3,3)$ |
+^ $p_z$ | $0$ | $0$ | $\frac{14 A(1,0)+9 A(3,0)}{7 \sqrt{15}}$ | $0$ | $0$ |
+^ $p_x$ | $\frac{3}{7} B(3,3)$ | $0$ | $0$ | $\frac{7 A(1,0)-3 A(3,0)}{7 \sqrt{5}}$ | $-\frac{3}{7} A(3,3)$ |
+###
+</hidden>
+==== Potential for p-f orbital mixing ====
+<hidden **Potential parameterized with onsite energies of irriducible representations** >
+###
+ $$A_{k,m} = \begin{cases}
+& (k\neq 4\land (k\neq 2\lor m\neq 0))\lor (m\neq -3\land m\neq 0\land m\neq 3) \\
+ A(2,0) & k=2\land m=0 \\
+ -A(4,3)+i B(4,3) & k=4\land m=-3 \\
+ A(4,0) & k=4\land m=0 \\
+ A(4,3)+i B(4,3) & \text{True}
+\end{cases}$$
+###
+</hidden>
+<hidden **Input format suitable for Mathematica (Quanty.nb)** >
+###
+<code Quanty Akm_C3_Z.Quanty.nb>
+Akm[k_,m_]:=Piecewise[{{0, (k != 4 && (k != 2 || m != 0)) || (m != -3 && m != 0 && m != 3)}, {A[2, 0], k == 2 && m == 0}, {-A[4, 3] + I*B[4, 3], k == 4 && m == -3}, {A[4, 0], k == 4 && m == 0}}, A[4, 3] + I*B[4, 3]]
+</code>
+###
+</hidden><hidden **Input format suitable for Quanty** >
+###
+<code Quanty Akm_C3_Z.Quanty>
+Akm = {{2, 0, A(2,0)} ,
+       {4, 0, A(4,0)} ,
+       {4,-3, (-1)*(A(4,3)) + (I)*(B(4,3))} ,
+       {4, 3, A(4,3) + (I)*(B(4,3))} }
+</code>
+###
+</hidden>
+<hidden **The Hamiltonian on a basis of spherical Harmonics** >
+###
+|    ^   ${Y_{-3}^{(3)}}$   ^   ${Y_{-2}^{(3)}}$   ^   ${Y_{-1}^{(3)}}$   ^   ${Y_{0}^{(3)}}$   ^   ${Y_{1}^{(3)}}$   ^   ${Y_{2}^{(3)}}$   ^   ${Y_{3}^{(3)}}$   ^
+^ ${Y_{-1}^{(1)}}$ | $0$ | $0$ | $\frac{1}{15} \sqrt{\frac{2}{7}} (9 A(2,0)-5 A(4,0))$ | $0$ | $0$ | $\frac{1}{3} (-A(4,3)+i B(4,3))$ | $0$ |
+^ ${Y_{0}^{(1)}}$ | $-\frac{A(4,3)+i B(4,3)}{3 \sqrt{3}}$ | $0$ | $0$ | $\frac{27 A(2,0)+20 A(4,0)}{15 \sqrt{21}}$ | $0$ | $0$ | $\frac{A(4,3)-i B(4,3)}{3 \sqrt{3}}$ |
+^ ${Y_{1}^{(1)}}$ | $0$ | $\frac{1}{3} (A(4,3)+i B(4,3))$ | $0$ | $0$ | $\frac{1}{15} \sqrt{\frac{2}{7}} (9 A(2,0)-5 A(4,0))$ | $0$ | $0$ |
+###
+</hidden>
+<hidden **The Hamiltonian on a basis of symmetric functions** >
+###
+|    ^   $f_{y\left(3x^2-y^2\right)}$   ^   $f_{\text{xyz}}$   ^   $f_{y\left(5z^2-r^2\right)}$   ^   $f_{z\left(5z^2-3r^2\right)}$   ^   $f_{x\left(5z^2-r^2\right)}$   ^   $f_{z\left(x^2-y^2\right)}$   ^   $f_{x\left(x^2-3y^2\right)}$   ^
+^ $p_y$ | $0$ | $\frac{1}{3} A(4,3)$ | $\frac{1}{15} \sqrt{\frac{2}{7}} (9 A(2,0)-5 A(4,0))$ | $0$ | $0$ | $\frac{1}{3} B(4,3)$ | $0$ |
+^ $p_z$ | $\frac{1}{3} \sqrt{\frac{2}{3}} B(4,3)$ | $0$ | $0$ | $\frac{27 A(2,0)+20 A(4,0)}{15 \sqrt{21}}$ | $0$ | $0$ | $-\frac{1}{3} \sqrt{\frac{2}{3}} A(4,3)$ |
+^ $p_x$ | $0$ | $\frac{1}{3} B(4,3)$ | $0$ | $0$ | $\frac{1}{15} \sqrt{\frac{2}{7}} (9 A(2,0)-5 A(4,0))$ | $-\frac{1}{3} A(4,3)$ | $0$ |
+###
+</hidden>
+==== Potential for d-f orbital mixing ====
+<hidden **Potential parameterized with onsite energies of irriducible representations** >
+###
+ $$A_{k,m} = \begin{cases}
+& (k\neq 3\land k\neq 5\land (k\neq 1\lor m\neq 0))\lor (m\neq -3\land m\neq 0\land m\neq 3) \\
+ A(1,0) & k=1\land m=0 \\
+ -A(3,3)+i B(3,3) & k=3\land m=-3 \\
+ A(3,0) & k=3\land m=0 \\
+ A(3,3)+i B(3,3) & k=3\land m=3 \\
+ -A(5,3)+i B(5,3) & k=5\land m=-3 \\
+ A(5,0) & k=5\land m=0 \\
+ A(5,3)+i B(5,3) & \text{True}
+\end{cases}$$
+###
+</hidden>
+<hidden **Input format suitable for Mathematica (Quanty.nb)** >
+###
+<code Quanty Akm_C3_Z.Quanty.nb>
+Akm[k_,m_]:=Piecewise[{{0, (k != 3 && k != 5 && (k != 1 || m != 0)) || (m != -3 && m != 0 && m != 3)}, {A[1, 0], k == 1 && m == 0}, {-A[3, 3] + I*B[3, 3], k == 3 && m == -3}, {A[3, 0], k == 3 && m == 0}, {A[3, 3] + I*B[3, 3], k == 3 && m == 3}, {-A[5, 3] + I*B[5, 3], k == 5 && m == -3}, {A[5, 0], k == 5 && m == 0}}, A[5, 3] + I*B[5, 3]]
+</code>
+###
+</hidden><hidden **Input format suitable for Quanty** >
+###
+<code Quanty Akm_C3_Z.Quanty>
+Akm = {{1, 0, A(1,0)} ,
+       {3, 0, A(3,0)} ,
+       {3,-3, (-1)*(A(3,3)) + (I)*(B(3,3))} ,
+       {3, 3, A(3,3) + (I)*(B(3,3))} ,
+       {5, 0, A(5,0)} ,
+       {5,-3, (-1)*(A(5,3)) + (I)*(B(5,3))} ,
+       {5, 3, A(5,3) + (I)*(B(5,3))} }
+</code>
+###
+</hidden>
+<hidden **The Hamiltonian on a basis of spherical Harmonics** >
+###
+|    ^   ${Y_{-3}^{(3)}}$   ^   ${Y_{-2}^{(3)}}$   ^   ${Y_{-1}^{(3)}}$   ^   ${Y_{0}^{(3)}}$   ^   ${Y_{1}^{(3)}}$   ^   ${Y_{2}^{(3)}}$   ^   ${Y_{3}^{(3)}}$   ^
+^ ${Y_{-2}^{(2)}}$ | $0$ | $\frac{33 A(1,0)-22 A(3,0)+5 A(5,0)}{33 \sqrt{7}}$ | $0$ | $0$ | $\frac{5}{33} \sqrt{2} (A(5,3)-i B(5,3))-\frac{1}{3} \sqrt{\frac{2}{7}} (A(3,3)-i B(3,3))$ | $0$ | $0$ |
+^ ${Y_{-1}^{(2)}}$ | $0$ | $0$ | $\frac{1}{33} \sqrt{\frac{2}{35}} (66 A(1,0)+11 A(3,0)-25 A(5,0))$ | $0$ | $0$ | $-\frac{1}{3} \sqrt{\frac{5}{7}} (A(3,3)-i B(3,3))-\frac{4}{33} \sqrt{5} (A(5,3)-i B(5,3))$ | $0$ |
+^ ${Y_{0}^{(2)}}$ | $\frac{1}{3} \sqrt{\frac{5}{7}} (A(3,3)+i B(3,3))-\frac{2}{33} \sqrt{5} (A(5,3)+i B(5,3))$ | $0$ | $0$ | $\frac{99 A(1,0)+44 A(3,0)+50 A(5,0)}{33 \sqrt{35}}$ | $0$ | $0$ | $\frac{2}{33} \sqrt{5} (A(5,3)-i B(5,3))-\frac{1}{3} \sqrt{\frac{5}{7}} (A(3,3)-i B(3,3))$ |
+^ ${Y_{1}^{(2)}}$ | $0$ | $\frac{1}{3} \sqrt{\frac{5}{7}} (A(3,3)+i B(3,3))+\frac{4}{33} \sqrt{5} (A(5,3)+i B(5,3))$ | $0$ | $0$ | $\frac{1}{33} \sqrt{\frac{2}{35}} (66 A(1,0)+11 A(3,0)-25 A(5,0))$ | $0$ | $0$ |
+^ ${Y_{2}^{(2)}}$ | $0$ | $0$ | $\frac{1}{3} \sqrt{\frac{2}{7}} (A(3,3)+i B(3,3))-\frac{5}{33} \sqrt{2} (A(5,3)+i B(5,3))$ | $0$ | $0$ | $\frac{33 A(1,0)-22 A(3,0)+5 A(5,0)}{33 \sqrt{7}}$ | $0$ |
+###
+</hidden>
+<hidden **The Hamiltonian on a basis of symmetric functions** >
+###
+|    ^   $f_{y\left(3x^2-y^2\right)}$   ^   $f_{\text{xyz}}$   ^   $f_{y\left(5z^2-r^2\right)}$   ^   $f_{z\left(5z^2-3r^2\right)}$   ^   $f_{x\left(5z^2-r^2\right)}$   ^   $f_{z\left(x^2-y^2\right)}$   ^   $f_{x\left(x^2-3y^2\right)}$   ^
+^ $d_{\text{xy}}$ | $0$ | $\frac{33 A(1,0)-22 A(3,0)+5 A(5,0)}{33 \sqrt{7}}$ | $\frac{5}{33} \sqrt{2} A(5,3)-\frac{1}{3} \sqrt{\frac{2}{7}} A(3,3)$ | $0$ | $\frac{5}{33} \sqrt{2} B(5,3)-\frac{1}{3} \sqrt{\frac{2}{7}} B(3,3)$ | $0$ | $0$ |
+^ $d_{\text{yz}}$ | $0$ | $\frac{1}{3} \sqrt{\frac{5}{7}} A(3,3)+\frac{4}{33} \sqrt{5} A(5,3)$ | $\frac{1}{33} \sqrt{\frac{2}{35}} (66 A(1,0)+11 A(3,0)-25 A(5,0))$ | $0$ | $0$ | $\frac{1}{3} \sqrt{\frac{5}{7}} B(3,3)+\frac{4}{33} \sqrt{5} B(5,3)$ | $0$ |
+^ $d_{3z^2-r^2}$ | $\frac{2}{33} \sqrt{10} B(5,3)-\frac{1}{3} \sqrt{\frac{10}{7}} B(3,3)$ | $0$ | $0$ | $\frac{99 A(1,0)+44 A(3,0)+50 A(5,0)}{33 \sqrt{35}}$ | $0$ | $0$ | $\frac{1}{231} \sqrt{10} \left(11 \sqrt{7} A(3,3)-14 A(5,3)\right)$ |
+^ $d_{\text{xz}}$ | $0$ | $\frac{1}{3} \sqrt{\frac{5}{7}} B(3,3)+\frac{4}{33} \sqrt{5} B(5,3)$ | $0$ | $0$ | $\frac{1}{33} \sqrt{\frac{2}{35}} (66 A(1,0)+11 A(3,0)-25 A(5,0))$ | $-\frac{1}{231} \sqrt{5} \left(11 \sqrt{7} A(3,3)+28 A(5,3)\right)$ | $0$ |
+^ $d_{x^2-y^2}$ | $0$ | $0$ | $\frac{5}{33} \sqrt{2} B(5,3)-\frac{1}{3} \sqrt{\frac{2}{7}} B(3,3)$ | $0$ | $\frac{1}{3} \sqrt{\frac{2}{7}} A(3,3)-\frac{5}{33} \sqrt{2} A(5,3)$ | $\frac{33 A(1,0)-22 A(3,0)+5 A(5,0)}{33 \sqrt{7}}$ | $0$ |
+###
+</hidden>
+===== Table of several point groups =====
+###
+[[physics_chemistry:point_groups|Return to Main page on Point Groups]]
+###
+###
+^Nonaxial groups      | [[physics_chemistry:point_groups:c1|C]]<sub>[[physics_chemistry:point_groups:c1|1]]</sub> | [[physics_chemistry:point_groups:cs|C]]<sub>[[physics_chemistry:point_groups:cs|s]]</sub> | [[physics_chemistry:point_groups:ci|C]]<sub>[[physics_chemistry:point_groups:ci|i]]</sub> | | | | |
+^C<sub>n</sub> groups | [[physics_chemistry:point_groups:c2|C]]<sub>[[physics_chemistry:point_groups:c2|2]]</sub> | [[physics_chemistry:point_groups:c3|C]]<sub>[[physics_chemistry:point_groups:c3|3]]</sub> | [[physics_chemistry:point_groups:c4|C]]<sub>[[physics_chemistry:point_groups:c4|4]]</sub> | [[physics_chemistry:point_groups:c5|C]]<sub>[[physics_chemistry:point_groups:c5|5]]</sub> | [[physics_chemistry:point_groups:c6|C]]<sub>[[physics_chemistry:point_groups:c6|6]]</sub> | [[physics_chemistry:point_groups:c7|C]]<sub>[[physics_chemistry:point_groups:c7|7]]</sub> | [[physics_chemistry:point_groups:c8|C]]<sub>[[physics_chemistry:point_groups:c8|8]]</sub> |
+^D<sub>n</sub> groups | [[physics_chemistry:point_groups:d2|D]]<sub>[[physics_chemistry:point_groups:d2|2]]</sub> | [[physics_chemistry:point_groups:d3|D]]<sub>[[physics_chemistry:point_groups:d3|3]]</sub> | [[physics_chemistry:point_groups:d4|D]]<sub>[[physics_chemistry:point_groups:d4|4]]</sub> | [[physics_chemistry:point_groups:d5|D]]<sub>[[physics_chemistry:point_groups:d5|5]]</sub> | [[physics_chemistry:point_groups:d6|D]]<sub>[[physics_chemistry:point_groups:d6|6]]</sub> | [[physics_chemistry:point_groups:d7|D]]<sub>[[physics_chemistry:point_groups:d7|7]]</sub> | [[physics_chemistry:point_groups:d8|D]]<sub>[[physics_chemistry:point_groups:d8|8]]</sub> |
+^C<sub>nv</sub> groups | [[physics_chemistry:point_groups:c2v|C]]<sub>[[physics_chemistry:point_groups:c2v|2v]]</sub> | [[physics_chemistry:point_groups:c3v|C]]<sub>[[physics_chemistry:point_groups:c3v|3v]]</sub> | [[physics_chemistry:point_groups:c4v|C]]<sub>[[physics_chemistry:point_groups:c4v|4v]]</sub> | [[physics_chemistry:point_groups:c5v|C]]<sub>[[physics_chemistry:point_groups:c5v|5v]]</sub> | [[physics_chemistry:point_groups:c6v|C]]<sub>[[physics_chemistry:point_groups:c6v|6v]]</sub> | [[physics_chemistry:point_groups:c7v|C]]<sub>[[physics_chemistry:point_groups:c7v|7v]]</sub> | [[physics_chemistry:point_groups:c8v|C]]<sub>[[physics_chemistry:point_groups:c8v|8v]]</sub> |
+^C<sub>nh</sub> groups | [[physics_chemistry:point_groups:c2h|C]]<sub>[[physics_chemistry:point_groups:c2h|2h]]</sub> | [[physics_chemistry:point_groups:c3h|C]]<sub>[[physics_chemistry:point_groups:c3h|3h]]</sub> | [[physics_chemistry:point_groups:c4h|C]]<sub>[[physics_chemistry:point_groups:c4h|4h]]</sub> | [[physics_chemistry:point_groups:c5h|C]]<sub>[[physics_chemistry:point_groups:c5h|5h]]</sub> | [[physics_chemistry:point_groups:c6h|C]]<sub>[[physics_chemistry:point_groups:c6h|6h]]</sub> | | |
+^D<sub>nh</sub> groups | [[physics_chemistry:point_groups:d2h|D]]<sub>[[physics_chemistry:point_groups:d2h|2h]]</sub> | [[physics_chemistry:point_groups:d3h|D]]<sub>[[physics_chemistry:point_groups:d3h|3h]]</sub> | [[physics_chemistry:point_groups:d4h|D]]<sub>[[physics_chemistry:point_groups:d4h|4h]]</sub> | [[physics_chemistry:point_groups:d5h|D]]<sub>[[physics_chemistry:point_groups:d5h|5h]]</sub> | [[physics_chemistry:point_groups:d6h|D]]<sub>[[physics_chemistry:point_groups:d6h|6h]]</sub> | [[physics_chemistry:point_groups:d7h|D]]<sub>[[physics_chemistry:point_groups:d7h|7h]]</sub> | [[physics_chemistry:point_groups:d8h|D]]<sub>[[physics_chemistry:point_groups:d8h|8h]]</sub> |
+^D<sub>nd</sub> groups | [[physics_chemistry:point_groups:d2d|D]]<sub>[[physics_chemistry:point_groups:d2d|2d]]</sub> | [[physics_chemistry:point_groups:d3d|D]]<sub>[[physics_chemistry:point_groups:d3d|3d]]</sub> | [[physics_chemistry:point_groups:d4d|D]]<sub>[[physics_chemistry:point_groups:d4d|4d]]</sub> | [[physics_chemistry:point_groups:d5d|D]]<sub>[[physics_chemistry:point_groups:d5d|5d]]</sub> | [[physics_chemistry:point_groups:d6d|D]]<sub>[[physics_chemistry:point_groups:d6d|6d]]</sub> | [[physics_chemistry:point_groups:d7d|D]]<sub>[[physics_chemistry:point_groups:d7d|7d]]</sub> | [[physics_chemistry:point_groups:d8d|D]]<sub>[[physics_chemistry:point_groups:d8d|8d]]</sub> |
+^S<sub>n</sub> groups | [[physics_chemistry:point_groups:S2|S]]<sub>[[physics_chemistry:point_groups:S2|2]]</sub> | [[physics_chemistry:point_groups:S4|S]]<sub>[[physics_chemistry:point_groups:S4|4]]</sub> | [[physics_chemistry:point_groups:S6|S]]<sub>[[physics_chemistry:point_groups:S6|6]]</sub> | [[physics_chemistry:point_groups:S8|S]]<sub>[[physics_chemistry:point_groups:S8|8]]</sub> | [[physics_chemistry:point_groups:S10|S]]<sub>[[physics_chemistry:point_groups:S10|10]]</sub> | [[physics_chemistry:point_groups:S12|S]]<sub>[[physics_chemistry:point_groups:S12|12]]</sub> |  |
+^Cubic groups | [[physics_chemistry:point_groups:T|T]] | [[physics_chemistry:point_groups:Th|T]]<sub>[[physics_chemistry:point_groups:Th|h]]</sub> | [[physics_chemistry:point_groups:Td|T]]<sub>[[physics_chemistry:point_groups:Td|d]]</sub> | [[physics_chemistry:point_groups:O|O]] | [[physics_chemistry:point_groups:Oh|O]]<sub>[[physics_chemistry:point_groups:Oh|h]]</sub> | [[physics_chemistry:point_groups:I|I]] | [[physics_chemistry:point_groups:Ih|I]]<sub>[[physics_chemistry:point_groups:Ih|h]]</sub> |
+^Linear groups      | [[physics_chemistry:point_groups:cinfv|C]]<sub>[[physics_chemistry:point_groups:cinfv| $\infty$ v]]</sub> | [[physics_chemistry:point_groups:cinfv|D]]<sub>[[physics_chemistry:point_groups:dinfh| $\infty$ h]]</sub> | | | | | |
+###

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