quri_parts.openfermion.mol package

quri_parts.openfermion.mol.get_fermionic_hamiltonian(spin_mo_eint_set: SpinMOeIntSet) → InteractionOperator

Construct the molecular hamiltonian from the spin MO electron integrals.

quri_parts.openfermion.mol.get_qubit_mapped_hamiltonian(active_space: ~quri_parts.chem.mol.models.ActiveSpace, spin_mo_eint_set: ~quri_parts.chem.mol.models.SpinMOeIntSet, fermion_qubit_mapping: ~quri_parts.openfermion.transforms.OpenFermionQubitMapping = <quri_parts.openfermion.transforms.OpenFermionJordanWigner object>) → tuple[Operator, Callable[[FermionOperator | InteractionOperator | MajoranaOperator], Operator], Callable[[Collection[int]], ComputationalBasisState]]

Computes the qubit hamiltonian and returns the operator mapper along with the state mapper.

quri_parts.openfermion.mol.operator_from_of_fermionic_op(fermionic_hamiltonian: ~openfermion.ops.operators.fermion_operator.FermionOperator | ~openfermion.ops.representations.interaction_operator.InteractionOperator | ~openfermion.ops.operators.majorana_operator.MajoranaOperator, active_space: ~quri_parts.chem.mol.models.ActiveSpace, fermion_qubit_mapping: ~quri_parts.openfermion.transforms.OpenFermionQubitMapping = <quri_parts.openfermion.transforms.OpenFermionJordanWigner object>) → tuple[Operator, Callable[[FermionOperator | InteractionOperator | MajoranaOperator], Operator], Callable[[Collection[int]], ComputationalBasisState]]

Converts the fermionic hamiltonian into qubit hamiltonian with a given mapping method, and returns the operator mapper along with the state mapper.

Submodules

• quri_parts.openfermion.mol.hamiltonian module
  • get_fermionic_hamiltonian()
  • operator_from_of_fermionic_op()
  • get_qubit_mapped_hamiltonian()