print("") print("YtoZMatrix(0)") print(YtoZMatrix(0)) print("") print("YtoZMatrix(\"s\", {{\"addSpin\",false}})") print(YtoZMatrix("s", {{"addSpin",false}})) print("") print("YtoZMatrix(1)") print(YtoZMatrix(1)) print("") print("YtoZMatrix(\"p\")") print(YtoZMatrix("p")) print("") print("YtoZMatrix(2)") print(YtoZMatrix(2)) print("") print("YtoZMatrix(\"d\")") print(YtoZMatrix("d")) print("") print("YtoZMatrix({0,1,2}, {{\"addSpin\",false}})") print(YtoZMatrix({0,1,2}, {{"addSpin",false}})) print("") print("YtoZMatrix({\"s\",\"p\",\"d\"}, {{\"addSpin\",false}})") print(YtoZMatrix({"s","p","d"}, {{"addSpin",false}})) print("\n\n") print("A more realistic example") Orbitals = {"1s","2s","2p"} Indices, NF = CreateAtomicIndicesDict(Orbitals) --Some Operator definition on spherical harmonics op = NewOperator("U", NF, Indices["2p_Up"], Indices["2p_Dn"],{0,1}) print("Operator on a basis of spherical harmonics") print(op) opZ = Rotate(op, YtoZMatrix(Orbitals)) print("Operator on a basis of tesseral harmonics") print(opZ)