AtomicNumberOperators

(not yet released)

AtomicNumberOperators(orbs, groupings) works analogously to CreateAtomicIndicesDict(), but instead of returning a dictionary of indices it returns a dictionary of operators counting the electrons in the corresponding states.

Input

  • orbs : A list of strings that can be interpreted as atomic orbitals.
  • groupings : an optional list of orbital groupings each in the format {groupname, {orb1, orb2,…}}.

Output

  • Num : A dictionary of number operators for the indices corresponding to the orbitals given in orbs, as well as the groups.

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