Index

A

active_hamiltonian_evaluator (saoovqe.vqe_optimization.SAOOVQE property) active_orbitals (saoovqe.problem.ProblemSet property) active_space_transformer (saoovqe.problem.ProblemSet property) add_resolution_rotation_circuit() (saoovqe.circuits.OrthogonalCircuitSet method) Ansatz (class in saoovqe.ansatz) ansatz (saoovqe.vqe_optimization.SAOOVQE property)

ansatz_circuit (saoovqe.gradient.GradientEvaluator property) ansatz_param_values (saoovqe.vqe_optimization.SAOOVQE property) AnsatzType (class in saoovqe.ansatz) args (saoovqe.vqe_optimization.UnivariateOptimizer property) as_operators (saoovqe.problem.ProblemSet property) as_problem (saoovqe.problem.ProblemSet property)

B

basis_name (saoovqe.problem.ProblemSet property) BOUNDED (saoovqe.vqe_optimization.UnivariateOptimizerMethod attribute)

bounds (saoovqe.vqe_optimization.UnivariateOptimizer property) bracket (saoovqe.vqe_optimization.UnivariateOptimizer property) BRENT (saoovqe.vqe_optimization.UnivariateOptimizerMethod attribute)

C

c_mat (saoovqe.problem.ProblemSet property) ci_nacs (saoovqe.vqe_optimization.SAOOVQE property) circuits (saoovqe.circuits.OrthogonalCircuitSet property) construct_hamiltonian_nuc_deriv_op() (saoovqe.problem.ProblemSet method)

create_1_body_exc_op_active() (saoovqe.problem.ProblemSet method) create_1_body_exc_op_full() (saoovqe.problem.ProblemSet method) create_2_body_exc_op_active() (saoovqe.problem.ProblemSet method) create_2_body_exc_op_full() (saoovqe.problem.ProblemSet method) csf_nacs (saoovqe.vqe_optimization.SAOOVQE property)

D

DECREASING (saoovqe.vqe_optimization.WeightAttribution attribute)

deriv_params (saoovqe.gradient.GradientEvaluator property) dHab (saoovqe.vqe_optimization.SAOOVQE property)

E

e_nuc_der (saoovqe.problem.ProblemSet property) EMolecule (class in saoovqe.molecule) EQUIVALENT (saoovqe.vqe_optimization.WeightAttribution attribute) estimator (saoovqe.circuits.HermitianOperatorEvaluator property) (saoovqe.vqe_optimization.SAOOVQE property)

eval_dHab() (saoovqe.vqe_optimization.SAOOVQE method) eval_eng_gradient() (saoovqe.vqe_optimization.SAOOVQE method) eval_grad() (saoovqe.gradient.GradientEvaluator method) eval_hess() (saoovqe.gradient.GradientEvaluator method) eval_nac() (saoovqe.vqe_optimization.SAOOVQE method) eval_state_overlap() (saoovqe.vqe_optimization.SAOOVQE method)

F

fermionic_mapper (saoovqe.problem.ProblemSet property) FINITE_DIFF (saoovqe.gradient.GradMethod attribute) from_problem_set() (saoovqe.ansatz.Ansatz class method) (saoovqe.circuits.OrthogonalCircuitSet class method) frozen_orbitals_indices (saoovqe.problem.ProblemSet property)

full_ham_one_body_integrals_ao (saoovqe.problem.ProblemSet property) full_ham_one_body_integrals_mo (saoovqe.problem.ProblemSet property) full_ham_two_body_integrals_ao (saoovqe.problem.ProblemSet property) full_ham_two_body_integrals_mo (saoovqe.problem.ProblemSet property) full_problem (saoovqe.problem.ProblemSet property)

G

general_basis_change() (saoovqe.problem.ProblemSet method) geometry (saoovqe.molecule.EMolecule property) geometry_str (saoovqe.molecule.EMolecule property) (saoovqe.problem.ProblemSet property) get_energy() (saoovqe.vqe_optimization.SAOOVQE method) get_evaluation_func() (saoovqe.circuits.HermitianOperatorEvaluator method) (saoovqe.circuits.OperatorEvaluatorBase method) get_new_rotation_circuit() (saoovqe.circuits.OrthogonalCircuitSet method)

get_qubit_hamiltonian_nuclear_derivative_op() (saoovqe.problem.ProblemSet method) get_state_couplings() (saoovqe.vqe_optimization.SAOOVQE method) GOLDEN (saoovqe.vqe_optimization.UnivariateOptimizerMethod attribute) grad_method (saoovqe.gradient.GradientEvaluator property) GradientEvaluator (class in saoovqe.gradient) GradMethod (class in saoovqe.gradient) GUCCD (saoovqe.ansatz.AnsatzType attribute) GUCCSD (saoovqe.ansatz.AnsatzType attribute)

H

HermitianOperatorEvaluator (class in saoovqe.circuits)

hess_method (saoovqe.gradient.GradientEvaluator property)

I

initial_circuits (saoovqe.vqe_optimization.SAOOVQE property)

M

method (saoovqe.vqe_optimization.UnivariateOptimizer property) module saoovqe saoovqe.ansatz saoovqe.circuits saoovqe.gradient saoovqe.logger_config saoovqe.molecule saoovqe.problem saoovqe.vqe_optimization

molecule (saoovqe.problem.ProblemSet property) molecule_driver (saoovqe.problem.ProblemSet property)

N

n_atoms (saoovqe.molecule.EMolecule property) n_mo_optim (saoovqe.vqe_optimization.SAOOVQE property) n_molecular_orbitals (saoovqe.problem.ProblemSet property) n_orbitals_active (saoovqe.problem.ProblemSet property) n_orbitals_frozen (saoovqe.problem.ProblemSet property) n_orbitals_virtual (saoovqe.problem.ProblemSet property)

n_particles (saoovqe.circuits.OrthogonalCircuitSet property) n_qubits (saoovqe.circuits.OrthogonalCircuitSet property) (saoovqe.problem.ProblemSet property) n_states (saoovqe.circuits.OrthogonalCircuitSet property) NoValueEnum (class in saoovqe.ansatz) (class in saoovqe.vqe_optimization) nuclear_repulsion_eng (saoovqe.problem.ProblemSet property)

O

one_body_el_int_nuc_der (saoovqe.problem.ProblemSet property) one_body_el_int_nuc_der_explicit_ao (saoovqe.problem.ProblemSet property) one_body_el_int_nuc_der_explicit_mo (saoovqe.problem.ProblemSet property) one_body_exc_op_active (saoovqe.problem.ProblemSet property) operator (saoovqe.circuits.HermitianOperatorEvaluator property) OperatorEvaluatorBase (class in saoovqe.circuits)

optimized_state_circuits (saoovqe.vqe_optimization.SAOOVQE property) options (saoovqe.vqe_optimization.UnivariateOptimizer property) orb_opt_newton() (saoovqe.vqe_optimization.SAOOVQE method) orbital_optimization_settings (saoovqe.vqe_optimization.SAOOVQE property) OrthogonalCircuitSet (class in saoovqe.circuits) overlap_el_int_nuc_der_explicit_ao (saoovqe.problem.ProblemSet property) overlap_el_int_nuc_der_explicit_mo (saoovqe.problem.ProblemSet property)

P

PARAMETER_SHIFT (saoovqe.gradient.GradMethod attribute) problem (saoovqe.vqe_optimization.SAOOVQE property)

ProblemSet (class in saoovqe.problem) psi4_mints (saoovqe.problem.ProblemSet property) psi4_molecule (saoovqe.molecule.EMolecule property)

Q

qubit_active_hamiltonian (saoovqe.problem.ProblemSet property)

qubit_converter (saoovqe.circuits.OrthogonalCircuitSet property) qubit_s_squared (saoovqe.problem.ProblemSet property)

R

resolution_angle (saoovqe.vqe_optimization.SAOOVQE property)

S

s_squared_evaluator (saoovqe.vqe_optimization.SAOOVQE property) saoovqe module SAOOVQE (class in saoovqe.vqe_optimization) saoovqe.ansatz module saoovqe.circuits module saoovqe.gradient module

saoovqe.logger_config module saoovqe.molecule module saoovqe.problem module saoovqe.vqe_optimization module

T

tol (saoovqe.vqe_optimization.UnivariateOptimizer property) total_nacs (saoovqe.vqe_optimization.SAOOVQE property) transform_eng_shift (saoovqe.problem.ProblemSet property) transpile() (saoovqe.circuits.OrthogonalCircuitSet method)

two_body_el_int_nuc_der (saoovqe.problem.ProblemSet property) two_body_el_int_nuc_der_explicit_ao (saoovqe.problem.ProblemSet property) two_body_el_int_nuc_der_explicit_mo (saoovqe.problem.ProblemSet property) two_body_exc_op_active (saoovqe.problem.ProblemSet property) TWO_LOCAL (saoovqe.ansatz.AnsatzType attribute)

U

UCCD (saoovqe.ansatz.AnsatzType attribute) UCCS (saoovqe.ansatz.AnsatzType attribute) UCCSD (saoovqe.ansatz.AnsatzType attribute)

unit_constants (saoovqe.problem.ProblemSet property) UnivariateOptimizer (class in saoovqe.vqe_optimization) UnivariateOptimizerMethod (class in saoovqe.vqe_optimization) update_problem_from_mo_coeffs() (saoovqe.problem.ProblemSet method)

V

virtual_orbitals_indices (saoovqe.problem.ProblemSet property)

W

WeightAttribution (class in saoovqe.vqe_optimization)

weights (saoovqe.vqe_optimization.SAOOVQE property) with_dia_orbs_from_prev_wfn() (saoovqe.problem.ProblemSet class method)