tequila.quantumchemistry.QuantumChemistryPsi4.reference_state

QuantumChemistryPsi4.reference_state(reference_orbitals: list = None, n_qubits: int = None) → tequila.utils.bitstrings.BitString

Does a really lazy workaround … but it works :return: Hartree-Fock Reference as binary-number

Parameters

reference_orbitals (list:) – give list of doubly occupied orbitals default is None which leads to automatic list of the first n_electron/2 orbitals