pyscfad.scf.hf_lite.SCF.get_homo_lumo_energy

SCF.get_homo_lumo_energy(mo_energy=None, mo_coeff=None)

Get HOMO and LUMO energies.

Parameters:

• mf (SCF)

• mo_energy (ArrayLike | None)

• mo_coeff (ArrayLike | None)

Return type:

tuple[float, float]