Index

_

_analyze_std() (slowquant.qiskit_interface.linear_response.lr_baseclass.quantumLRBaseClass method) _calc_energy_elec() (slowquant.qiskit_interface.circuit_wavefunction.WaveFunctionCircuit method) _calc_energy_optimization() (slowquant.qiskit_interface.circuit_wavefunction.WaveFunctionCircuit method) (slowquant.unitary_coupled_cluster.sa_ups_wavefunction.WaveFunctionSAUPS method) (slowquant.unitary_coupled_cluster.ucc_wavefunction.WaveFunctionUCC method) (slowquant.unitary_coupled_cluster.ups_wavefunction.WaveFunctionUPS method) _calc_gradient_optimization() (slowquant.qiskit_interface.circuit_wavefunction.WaveFunctionCircuit method) (slowquant.unitary_coupled_cluster.sa_ups_wavefunction.WaveFunctionSAUPS method) (slowquant.unitary_coupled_cluster.ucc_wavefunction.WaveFunctionUCC method) (slowquant.unitary_coupled_cluster.ups_wavefunction.WaveFunctionUPS method) _do_state_ci() (slowquant.unitary_coupled_cluster.sa_ups_wavefunction.WaveFunctionSAUPS method) _double_excitation_efficient() (in module slowquant.qiskit_interface.operators_circuits) _double_excitation_trotter() (in module slowquant.qiskit_interface.operators_circuits) _estimator_quantum_expectation_value() (slowquant.qiskit_interface.interface.QuantumInterface method) _get_CV_trend() (slowquant.qiskit_interface.linear_response.lr_baseclass.quantumLRBaseClass method) _get_energy_evals_for_grad() (in module slowquant.qiskit_interface.circuit_wavefunction) _get_excited_state_norm() (slowquant.qiskit_interface.linear_response.lr_baseclass.quantumLRBaseClass method) _get_qbitmap() (slowquant.qiskit_interface.linear_response.allprojected.quantumLR method) (slowquant.qiskit_interface.linear_response.lr_baseclass.quantumLRBaseClass method) (slowquant.qiskit_interface.linear_response.naive.quantumLR method) (slowquant.qiskit_interface.linear_response.projected.quantumLR method) _get_std_trend() (slowquant.qiskit_interface.linear_response.lr_baseclass.quantumLRBaseClass method) _HartreeFock (class in slowquant.hartreefock.hartreefockclass)

_Integral (class in slowquant.molecularintegrals.integralclass) _iteration (slowquant.unitary_coupled_cluster.optimizers.Optimizers attribute) _Logger (class in slowquant.logger) _make_Minv() (slowquant.qiskit_interface.interface.QuantumInterface method) _Molecule (class in slowquant.molecule.moleculeclass) _one_call_sampler_distributions() (slowquant.qiskit_interface.interface.QuantumInterface method) _print_progress() (slowquant.unitary_coupled_cluster.optimizers.Optimizers method) _Properties (class in slowquant.properties.propertiesclass) _reconstruct_circuit() (slowquant.qiskit_interface.circuit_wavefunction.WaveFunctionCircuit method) _reset_cliques() (slowquant.qiskit_interface.interface.QuantumInterface method) _reset_M() (slowquant.qiskit_interface.interface.QuantumInterface method) _run_no_saving() (slowquant.qiskit_interface.linear_response.allprojected.quantumLR method) (slowquant.qiskit_interface.linear_response.projected.quantumLR method) _sa_single_excitation_efficient() (in module slowquant.qiskit_interface.operators_circuits) _sa_single_excitation_trotter() (in module slowquant.qiskit_interface.operators_circuits) _sampler_distribution_p1() (slowquant.qiskit_interface.interface.QuantumInterface method) _sampler_distributions() (slowquant.qiskit_interface.interface.QuantumInterface method) _sampler_quantum_expectation_value() (slowquant.qiskit_interface.interface.QuantumInterface method) _sampler_quantum_expectation_value_nosave() (slowquant.qiskit_interface.interface.QuantumInterface method) _set_basis_set() (slowquant.molecule.moleculeclass._Molecule method) _single_excitation_efficient() (in module slowquant.qiskit_interface.operators_circuits) _single_excitation_trotter() (in module slowquant.qiskit_interface.operators_circuits) _start (slowquant.unitary_coupled_cluster.optimizers.Optimizers attribute) _transpile_circuit() (slowquant.qiskit_interface.interface.QuantumInterface method)

A

a_op (class in slowquant.unitary_coupled_cluster.fermionic_operator) a_op_spin() (in module slowquant.unitary_coupled_cluster.fermionic_operator) add_paulis() (slowquant.qiskit_interface.util.Clique method) add_quadruples() (slowquant.unitary_coupled_cluster.util.UccStructure method) add_quintuples() (slowquant.unitary_coupled_cluster.util.UccStructure method) add_sa_doubles() (slowquant.unitary_coupled_cluster.util.UccStructure method) add_sa_singles() (slowquant.unitary_coupled_cluster.util.UccStructure method)

add_sextuples() (slowquant.unitary_coupled_cluster.util.UccStructure method) add_to_log() (slowquant.logger._Logger method) add_triples() (slowquant.unitary_coupled_cluster.util.UccStructure method) anni_spin() (in module slowquant.unitary_coupled_cluster.operators) Atom (class in slowquant.molecule.moleculeclass) atom_charges (slowquant.molecule.moleculeclass._Molecule property) atom_coordinates (slowquant.molecule.moleculeclass._Molecule property) atom_to_properties() (in module slowquant.molecule.constants)

B

basis_function_labels (slowquant.molecule.moleculeclass._Molecule property) boys_function() (in module slowquant.molecularintegrals.integralfunctions)

build_operator_matrix() (in module slowquant.unitary_coupled_cluster.operator_matrix) build_operator_matrix_extended() (in module slowquant.unitary_coupled_cluster.operator_extended)

C

c_mo (slowquant.qiskit_interface.circuit_wavefunction.WaveFunctionCircuit property) (slowquant.unitary_coupled_cluster.sa_ups_wavefunction.WaveFunctionSAUPS property) (slowquant.unitary_coupled_cluster.ucc_wavefunction.WaveFunctionUCC property) (slowquant.unitary_coupled_cluster.ups_wavefunction.WaveFunctionUPS property) calc_excitation_energies() (slowquant.unitary_coupled_cluster.linear_response.lr_baseclass.LinearResponseBaseClass method) center_of_mass (slowquant.molecule.moleculeclass._Molecule property) change_primitive() (slowquant.qiskit_interface.circuit_wavefunction.WaveFunctionCircuit method) check_orthonormality() (slowquant.qiskit_interface.circuit_wavefunction.WaveFunctionCircuit method) (slowquant.unitary_coupled_cluster.sa_ups_wavefunction.WaveFunctionSAUPS method) (slowquant.unitary_coupled_cluster.ucc_wavefunction.WaveFunctionUCC method) (slowquant.unitary_coupled_cluster.ups_wavefunction.WaveFunctionUPS method) ci_coeffs (slowquant.unitary_coupled_cluster.sa_ups_wavefunction.WaveFunctionSAUPS property) (slowquant.unitary_coupled_cluster.ucc_wavefunction.WaveFunctionUCC property)

circuit (slowquant.qiskit_interface.interface.QuantumInterface property) Clique (class in slowquant.qiskit_interface.util) CliqueHead (class in slowquant.qiskit_interface.util) commutator() (in module slowquant.unitary_coupled_cluster.operators) construct_circuit() (slowquant.qiskit_interface.interface.QuantumInterface method) construct_ucc_state() (in module slowquant.unitary_coupled_cluster.operator_matrix) construct_ucc_state_extended() (in module slowquant.unitary_coupled_cluster.operator_extended) construct_ups_state() (in module slowquant.unitary_coupled_cluster.operator_matrix) construct_ups_state_extended() (in module slowquant.unitary_coupled_cluster.operator_extended) contracted_normalization() (in module slowquant.molecule.moleculefunctions) correct_distribution() (in module slowquant.qiskit_interface.util) create_fUCC() (slowquant.unitary_coupled_cluster.util.UpsStructure method) create_SDSfUCC() (slowquant.unitary_coupled_cluster.util.UpsStructure method) create_tups() (slowquant.unitary_coupled_cluster.util.UpsStructure method)

D

dagger (slowquant.unitary_coupled_cluster.fermionic_operator.FermionicOperator property) DIIS (class in slowquant.hartreefock.diis)

do_extended_normal_ordering() (in module slowquant.unitary_coupled_cluster.fermionic_operator) double_commutator() (in module slowquant.unitary_coupled_cluster.operators) double_excitation() (in module slowquant.qiskit_interface.operators_circuits)

E

electron_repulsion_integral() (in module slowquant.molecularintegrals.electronrepulsion) electron_repulsion_integral_driver() (in module slowquant.molecularintegrals.electronrepulsion) electron_repulsion_tensor (slowquant.molecularintegrals.integralclass._Integral property) Eminuspq() (in module slowquant.unitary_coupled_cluster.operators) energy_elec (slowquant.qiskit_interface.circuit_wavefunction.WaveFunctionCircuit property) (slowquant.unitary_coupled_cluster.ucc_wavefunction.WaveFunctionUCC property) (slowquant.unitary_coupled_cluster.ups_wavefunction.WaveFunctionUPS property) energy_states (slowquant.unitary_coupled_cluster.sa_ups_wavefunction.WaveFunctionSAUPS property)

Epq() (in module slowquant.unitary_coupled_cluster.operators) Epq_matrix() (in module slowquant.unitary_coupled_cluster.operator_matrix) epqrs() (in module slowquant.unitary_coupled_cluster.operators) excitation_energies (slowquant.unitary_coupled_cluster.sa_ups_wavefunction.WaveFunctionSAUPS property) expansion_coefficients() (in module slowquant.molecularintegrals.integralfunctions) expectation_value() (in module slowquant.unitary_coupled_cluster.operator_matrix) expectation_value_extended() (in module slowquant.unitary_coupled_cluster.operator_extended) expectation_value_mat() (in module slowquant.unitary_coupled_cluster.operator_matrix)

F

f2q() (in module slowquant.qiskit_interface.util) factorial2() (in module slowquant.molecule.moleculefunctions)

FermionicOperator (class in slowquant.unitary_coupled_cluster.fermionic_operator) fit_in_clique() (in module slowquant.qiskit_interface.util) fUCC() (in module slowquant.qiskit_interface.custom_ansatz)

G

G1() (in module slowquant.unitary_coupled_cluster.operators) G1_sa() (in module slowquant.unitary_coupled_cluster.operators) G2() (in module slowquant.unitary_coupled_cluster.operators) G2_1_sa() (in module slowquant.unitary_coupled_cluster.operators) G2_2_sa() (in module slowquant.unitary_coupled_cluster.operators) G3() (in module slowquant.unitary_coupled_cluster.operators) G4() (in module slowquant.unitary_coupled_cluster.operators) G5() (in module slowquant.unitary_coupled_cluster.operators) G6() (in module slowquant.unitary_coupled_cluster.operators) g_mo (slowquant.qiskit_interface.circuit_wavefunction.WaveFunctionCircuit property) (slowquant.unitary_coupled_cluster.sa_ups_wavefunction.WaveFunctionSAUPS property) (slowquant.unitary_coupled_cluster.ucc_wavefunction.WaveFunctionUCC property) (slowquant.unitary_coupled_cluster.ups_wavefunction.WaveFunctionUPS property) generate_doubles() (in module slowquant.unitary_coupled_cluster.operator_extended) generate_singles() (in module slowquant.unitary_coupled_cluster.operator_extended) get_basis_function_amplitude() (slowquant.molecule.moleculeclass._Molecule method) get_bitstring_sign() (in module slowquant.qiskit_interface.util) get_cauchy_schwarz_matrix() (in module slowquant.molecularintegrals.electronrepulsion) get_dipole_moment() (slowquant.properties.propertiesclass._Properties method) get_distr() (slowquant.qiskit_interface.util.Clique method) get_electronic_energy() (in module slowquant.unitary_coupled_cluster.density_matrix) get_energy_evals() (in module slowquant.unitary_coupled_cluster.optimizers) get_excitation_energies() (slowquant.qiskit_interface.linear_response.lr_baseclass.quantumLRBaseClass method) get_excited_state_contributions() (slowquant.qiskit_interface.linear_response.lr_baseclass.quantumLRBaseClass method) get_excited_state_norm() (slowquant.unitary_coupled_cluster.linear_response.lr_baseclass.LinearResponseBaseClass method) get_extrapolated_fock_matrix() (slowquant.hartreefock.diis.DIIS method) get_folded_operator() (slowquant.unitary_coupled_cluster.fermionic_operator.FermionicOperator method) get_formatted_oscillator_strength() (slowquant.qiskit_interface.linear_response.lr_baseclass.quantumLRBaseClass method) (slowquant.unitary_coupled_cluster.linear_response.lr_baseclass.LinearResponseBaseClass method) get_grad_action() (in module slowquant.unitary_coupled_cluster.operator_matrix) get_indexing() (in module slowquant.unitary_coupled_cluster.operator_matrix)

get_indexing_extended() (in module slowquant.unitary_coupled_cluster.operator_extended) get_info() (slowquant.qiskit_interface.interface.QuantumInterface method) (slowquant.unitary_coupled_cluster.fermionic_operator.FermionicOperator method) get_multipole_matrix() (slowquant.molecularintegrals.integralclass._Integral method) get_normed_excitation_vectors() (slowquant.qiskit_interface.linear_response.lr_baseclass.quantumLRBaseClass method) get_num_CBS_elements() (in module slowquant.qiskit_interface.linear_response.lr_baseclass) get_num_nonCBS() (in module slowquant.qiskit_interface.linear_response.lr_baseclass) get_operator_info() (slowquant.qiskit_interface.linear_response.lr_baseclass.quantumLRBaseClass method) get_orbital_gradient() (in module slowquant.unitary_coupled_cluster.density_matrix) get_orbital_gradient_response() (in module slowquant.unitary_coupled_cluster.density_matrix) get_orbital_response_hessian_block() (in module slowquant.unitary_coupled_cluster.density_matrix) get_orbital_response_metric_sigma() (in module slowquant.unitary_coupled_cluster.density_matrix) get_orbital_response_property_gradient() (in module slowquant.unitary_coupled_cluster.density_matrix) get_orbital_response_vector_norm() (in module slowquant.unitary_coupled_cluster.density_matrix) get_oscillator_strenghts() (slowquant.unitary_coupled_cluster.sa_ups_wavefunction.WaveFunctionSAUPS method) get_oscillator_strength() (slowquant.qiskit_interface.linear_response.lr_baseclass.quantumLRBaseClass method) (slowquant.unitary_coupled_cluster.linear_response.lr_baseclass.LinearResponseBaseClass method) get_qiskit_form() (slowquant.unitary_coupled_cluster.fermionic_operator.FermionicOperator method) get_transition_dipole() (slowquant.qiskit_interface.linear_response.allprojected.quantumLR method) (slowquant.qiskit_interface.linear_response.lr_baseclass.quantumLRBaseClass method) (slowquant.qiskit_interface.linear_response.naive.quantumLR method) (slowquant.qiskit_interface.linear_response.projected.quantumLR method) (slowquant.unitary_coupled_cluster.linear_response.allprojected.LinearResponseUCC method) (slowquant.unitary_coupled_cluster.linear_response.allselfconsistent.LinearResponseUCC method) (slowquant.unitary_coupled_cluster.linear_response.allstatetransfer.LinearResponseUCC method) (slowquant.unitary_coupled_cluster.linear_response.lr_baseclass.LinearResponseBaseClass method) (slowquant.unitary_coupled_cluster.linear_response.naive.LinearResponseUCC method) (slowquant.unitary_coupled_cluster.linear_response.projected.LinearResponseUCC method) (slowquant.unitary_coupled_cluster.linear_response.projected_statetransfer.LinearResponseUCC method) (slowquant.unitary_coupled_cluster.linear_response.selfconsistent.LinearResponseUCC method) (slowquant.unitary_coupled_cluster.linear_response.statetransfer.LinearResponseUCC method) get_transition_property() (slowquant.unitary_coupled_cluster.sa_ups_wavefunction.WaveFunctionSAUPS method)

H

h_mo (slowquant.qiskit_interface.circuit_wavefunction.WaveFunctionCircuit property) (slowquant.unitary_coupled_cluster.sa_ups_wavefunction.WaveFunctionSAUPS property) (slowquant.unitary_coupled_cluster.ucc_wavefunction.WaveFunctionUCC property) (slowquant.unitary_coupled_cluster.ups_wavefunction.WaveFunctionUPS property) hamiltonian_0i_0a() (in module slowquant.unitary_coupled_cluster.operators)

hamiltonian_1i_1a() (in module slowquant.unitary_coupled_cluster.operators) hamiltonian_2i_2a() (in module slowquant.unitary_coupled_cluster.operators) hamiltonian_full_space() (in module slowquant.unitary_coupled_cluster.operators) hermite_coulomb_integral() (in module slowquant.molecularintegrals.integralfunctions) hermite_multipole_integral() (in module slowquant.molecularintegrals.integralfunctions)

I

index_info (slowquant.unitary_coupled_cluster.linear_response.lr_baseclass.LinearResponseBaseClass attribute) index_info_extended (slowquant.unitary_coupled_cluster.linear_response.allselfconsistent.LinearResponseUCC attribute) (slowquant.unitary_coupled_cluster.linear_response.allstatetransfer.LinearResponseUCC attribute) init_hartree_fock() (slowquant.SlowQuant.SlowQuant method) init_properties() (slowquant.SlowQuant.SlowQuant method) ISA (slowquant.qiskit_interface.interface.QuantumInterface property) iterate_pair_t2() (in module slowquant.unitary_coupled_cluster.util) iterate_pair_t2_generalized() (in module slowquant.unitary_coupled_cluster.util)

iterate_t1() (in module slowquant.unitary_coupled_cluster.util) iterate_t1_sa() (in module slowquant.unitary_coupled_cluster.util) iterate_t1_sa_generalized() (in module slowquant.unitary_coupled_cluster.util) iterate_t2() (in module slowquant.unitary_coupled_cluster.util) iterate_t2_sa() (in module slowquant.unitary_coupled_cluster.util) iterate_t3() (in module slowquant.unitary_coupled_cluster.util) iterate_t4() (in module slowquant.unitary_coupled_cluster.util) iterate_t5() (in module slowquant.unitary_coupled_cluster.util) iterate_t6() (in module slowquant.unitary_coupled_cluster.util)

K

kappa (slowquant.qiskit_interface.circuit_wavefunction.WaveFunctionCircuit property) (slowquant.unitary_coupled_cluster.sa_ups_wavefunction.WaveFunctionSAUPS property) (slowquant.unitary_coupled_cluster.ucc_wavefunction.WaveFunctionUCC property) (slowquant.unitary_coupled_cluster.ups_wavefunction.WaveFunctionUPS property)

kinetic_energy_integral() (in module slowquant.molecularintegrals.kineticenergy) kinetic_energy_integral_driver() (in module slowquant.molecularintegrals.kineticenergy) kinetic_energy_matrix (slowquant.molecularintegrals.integralclass._Integral property)

L

LinearResponseBaseClass (class in slowquant.unitary_coupled_cluster.linear_response.lr_baseclass) LinearResponseUCC (class in slowquant.unitary_coupled_cluster.linear_response.allprojected) (class in slowquant.unitary_coupled_cluster.linear_response.allselfconsistent) (class in slowquant.unitary_coupled_cluster.linear_response.allstatetransfer) (class in slowquant.unitary_coupled_cluster.linear_response.naive) (class in slowquant.unitary_coupled_cluster.linear_response.projected) (class in slowquant.unitary_coupled_cluster.linear_response.projected_statetransfer) (class in slowquant.unitary_coupled_cluster.linear_response.selfconsistent) (class in slowquant.unitary_coupled_cluster.linear_response.statetransfer)

load_wavefunction() (in module slowquant.unitary_coupled_cluster.ucc_wavefunction) log (slowquant.hartreefock.hartreefockclass._HartreeFock property)

M

max_shots_per_run (slowquant.qiskit_interface.interface.QuantumInterface property) minimize() (slowquant.unitary_coupled_cluster.optimizers.Optimizers method) (slowquant.unitary_coupled_cluster.optimizers.RotoSolve method) module slowquant.hartreefock.diis slowquant.hartreefock.hartreefock_in_memory slowquant.hartreefock.hartreefockclass slowquant.logger slowquant.molecularintegrals.electronrepulsion slowquant.molecularintegrals.integralclass slowquant.molecularintegrals.integralfunctions slowquant.molecularintegrals.kineticenergy slowquant.molecularintegrals.multipole slowquant.molecularintegrals.nuclearattraction slowquant.molecule.basis_reader slowquant.molecule.constants slowquant.molecule.moleculeclass slowquant.molecule.moleculefunctions slowquant.properties.propertiesclass slowquant.qiskit_interface.circuit_wavefunction slowquant.qiskit_interface.custom_ansatz slowquant.qiskit_interface.interface slowquant.qiskit_interface.linear_response.allprojected slowquant.qiskit_interface.linear_response.lr_baseclass slowquant.qiskit_interface.linear_response.naive slowquant.qiskit_interface.linear_response.projected slowquant.qiskit_interface.operators_circuits slowquant.qiskit_interface.util slowquant.SlowQuant slowquant.unitary_coupled_cluster.density_matrix slowquant.unitary_coupled_cluster.fermionic_operator slowquant.unitary_coupled_cluster.linear_response.allprojected slowquant.unitary_coupled_cluster.linear_response.allselfconsistent slowquant.unitary_coupled_cluster.linear_response.allstatetransfer slowquant.unitary_coupled_cluster.linear_response.lr_baseclass slowquant.unitary_coupled_cluster.linear_response.naive slowquant.unitary_coupled_cluster.linear_response.projected slowquant.unitary_coupled_cluster.linear_response.projected_statetransfer slowquant.unitary_coupled_cluster.linear_response.selfconsistent slowquant.unitary_coupled_cluster.linear_response.statetransfer slowquant.unitary_coupled_cluster.operator_extended slowquant.unitary_coupled_cluster.operator_matrix slowquant.unitary_coupled_cluster.operators slowquant.unitary_coupled_cluster.optimizers slowquant.unitary_coupled_cluster.sa_ups_wavefunction slowquant.unitary_coupled_cluster.ucc_wavefunction slowquant.unitary_coupled_cluster.ups_wavefunction slowquant.unitary_coupled_cluster.util

multipole_integral() (in module slowquant.molecularintegrals.multipole) multipole_integral_driver() (in module slowquant.molecularintegrals.multipole)

N

nuclear_attraction_integral() (in module slowquant.molecularintegrals.nuclearattraction) nuclear_attraction_integral_driver() (in module slowquant.molecularintegrals.nuclearattraction) nuclear_attraction_matrix (slowquant.molecularintegrals.integralclass._Integral property) nuclear_repulsion (slowquant.molecule.moleculeclass._Molecule property)

number_electrons (slowquant.molecule.moleculeclass._Molecule property) number_electrons_alpha (slowquant.molecule.moleculeclass._Molecule property) number_electrons_beta (slowquant.molecule.moleculeclass._Molecule property) number_shell (slowquant.molecule.moleculeclass._Molecule property)

O

one_elec_op_0i_0a() (in module slowquant.unitary_coupled_cluster.operators) one_elec_op_1i_1a() (in module slowquant.unitary_coupled_cluster.operators) one_elec_op_full_space() (in module slowquant.unitary_coupled_cluster.operators) one_electron_integral_transform() (in module slowquant.molecularintegrals.integralfunctions) op_to_qbit() (slowquant.qiskit_interface.interface.QuantumInterface method)

operator_count (slowquant.unitary_coupled_cluster.fermionic_operator.FermionicOperator property) operator_string_to_key() (in module slowquant.unitary_coupled_cluster.fermionic_operator) operator_to_qiskit_key() (in module slowquant.unitary_coupled_cluster.fermionic_operator) Optimizers (class in slowquant.unitary_coupled_cluster.optimizers) overlap_matrix (slowquant.molecularintegrals.integralclass._Integral property)

P

parameters (slowquant.qiskit_interface.interface.QuantumInterface property) pass_manager (slowquant.qiskit_interface.interface.QuantumInterface property) postselection() (in module slowquant.qiskit_interface.util) precalc_rdm_paulis() (slowquant.qiskit_interface.circuit_wavefunction.WaveFunctionCircuit method)

primitive_gauss() (in module slowquant.molecule.moleculefunctions) primitive_normalization() (in module slowquant.molecule.moleculefunctions) propagate_state() (in module slowquant.unitary_coupled_cluster.operator_matrix) propagate_state_extended() (in module slowquant.unitary_coupled_cluster.operator_extended) propagate_unitary() (in module slowquant.unitary_coupled_cluster.operator_matrix)

Q

quantum_expectation_value() (slowquant.qiskit_interface.interface.QuantumInterface method) quantum_variance() (slowquant.qiskit_interface.interface.QuantumInterface method) QuantumInterface (class in slowquant.qiskit_interface.interface)

quantumLR (class in slowquant.qiskit_interface.linear_response.allprojected) (class in slowquant.qiskit_interface.linear_response.naive) (class in slowquant.qiskit_interface.linear_response.projected) quantumLRBaseClass (class in slowquant.qiskit_interface.linear_response.lr_baseclass)

R

rdm1 (slowquant.qiskit_interface.circuit_wavefunction.WaveFunctionCircuit property) (slowquant.unitary_coupled_cluster.sa_ups_wavefunction.WaveFunctionSAUPS property) (slowquant.unitary_coupled_cluster.ucc_wavefunction.WaveFunctionUCC property) (slowquant.unitary_coupled_cluster.ups_wavefunction.WaveFunctionUPS property) RDM1() (slowquant.unitary_coupled_cluster.density_matrix.ReducedDenstiyMatrix method) rdm1_charge (slowquant.hartreefock.hartreefockclass._HartreeFock property) rdm1_spin (slowquant.hartreefock.hartreefockclass._HartreeFock property) rdm2 (slowquant.qiskit_interface.circuit_wavefunction.WaveFunctionCircuit property) (slowquant.unitary_coupled_cluster.sa_ups_wavefunction.WaveFunctionSAUPS property) (slowquant.unitary_coupled_cluster.ucc_wavefunction.WaveFunctionUCC property) (slowquant.unitary_coupled_cluster.ups_wavefunction.WaveFunctionUPS property) RDM2() (slowquant.unitary_coupled_cluster.density_matrix.ReducedDenstiyMatrix method) rdm3 (slowquant.qiskit_interface.circuit_wavefunction.WaveFunctionCircuit property) (slowquant.unitary_coupled_cluster.ucc_wavefunction.WaveFunctionUCC property) (slowquant.unitary_coupled_cluster.ups_wavefunction.WaveFunctionUPS property) rdm4 (slowquant.qiskit_interface.circuit_wavefunction.WaveFunctionCircuit property) (slowquant.unitary_coupled_cluster.ucc_wavefunction.WaveFunctionUCC property) (slowquant.unitary_coupled_cluster.ups_wavefunction.WaveFunctionUPS property) read_basis() (in module slowquant.molecule.basis_reader) reconstructed_f() (in module slowquant.unitary_coupled_cluster.optimizers) redo_M_mitigation() (slowquant.qiskit_interface.interface.QuantumInterface method)

ReducedDenstiyMatrix (class in slowquant.unitary_coupled_cluster.density_matrix) Result (class in slowquant.unitary_coupled_cluster.optimizers) RotoSolve (class in slowquant.unitary_coupled_cluster.optimizers) run() (slowquant.qiskit_interface.linear_response.allprojected.quantumLR method) (slowquant.qiskit_interface.linear_response.lr_baseclass.quantumLRBaseClass method) (slowquant.qiskit_interface.linear_response.naive.quantumLR method) (slowquant.qiskit_interface.linear_response.projected.quantumLR method) run_hartree_fock() (in module slowquant.hartreefock.hartreefock_in_memory) run_restricted_hartree_fock() (slowquant.hartreefock.hartreefockclass._HartreeFock method) run_std() (slowquant.qiskit_interface.linear_response.allprojected.quantumLR method) (slowquant.qiskit_interface.linear_response.lr_baseclass.quantumLRBaseClass method) (slowquant.qiskit_interface.linear_response.naive.quantumLR method) (slowquant.qiskit_interface.linear_response.projected.quantumLR method) run_unrestricted_hartree_fock() (slowquant.hartreefock.hartreefockclass._HartreeFock method) run_wf_optimization_1step() (slowquant.qiskit_interface.circuit_wavefunction.WaveFunctionCircuit method) (slowquant.unitary_coupled_cluster.sa_ups_wavefunction.WaveFunctionSAUPS method) (slowquant.unitary_coupled_cluster.ucc_wavefunction.WaveFunctionUCC method) (slowquant.unitary_coupled_cluster.ups_wavefunction.WaveFunctionUPS method) run_wf_optimization_2step() (slowquant.qiskit_interface.circuit_wavefunction.WaveFunctionCircuit method) (slowquant.unitary_coupled_cluster.sa_ups_wavefunction.WaveFunctionSAUPS method) (slowquant.unitary_coupled_cluster.ucc_wavefunction.WaveFunctionUCC method) (slowquant.unitary_coupled_cluster.ups_wavefunction.WaveFunctionUPS method)

S

sa_energy (slowquant.unitary_coupled_cluster.sa_ups_wavefunction.WaveFunctionSAUPS property) sa_single_excitation() (in module slowquant.qiskit_interface.operators_circuits) save_wavefunction() (slowquant.unitary_coupled_cluster.ucc_wavefunction.WaveFunctionUCC method) SDSfUCC() (in module slowquant.qiskit_interface.custom_ansatz) set_basis_set() (slowquant.SlowQuant.SlowQuant method) set_molecule() (slowquant.SlowQuant.SlowQuant method) Shell (class in slowquant.molecule.moleculeclass) shots (slowquant.qiskit_interface.interface.QuantumInterface property) single_excitation() (in module slowquant.qiskit_interface.operators_circuits) SlowQuant (class in slowquant.SlowQuant) slowquant.hartreefock.diis module slowquant.hartreefock.hartreefock_in_memory module slowquant.hartreefock.hartreefockclass module slowquant.logger module slowquant.molecularintegrals.electronrepulsion module slowquant.molecularintegrals.integralclass module slowquant.molecularintegrals.integralfunctions module slowquant.molecularintegrals.kineticenergy module slowquant.molecularintegrals.multipole module slowquant.molecularintegrals.nuclearattraction module slowquant.molecule.basis_reader module slowquant.molecule.constants module slowquant.molecule.moleculeclass module slowquant.molecule.moleculefunctions module slowquant.properties.propertiesclass module slowquant.qiskit_interface.circuit_wavefunction module slowquant.qiskit_interface.custom_ansatz module slowquant.qiskit_interface.interface module slowquant.qiskit_interface.linear_response.allprojected module slowquant.qiskit_interface.linear_response.lr_baseclass module

slowquant.qiskit_interface.linear_response.naive module slowquant.qiskit_interface.linear_response.projected module slowquant.qiskit_interface.operators_circuits module slowquant.qiskit_interface.util module slowquant.SlowQuant module slowquant.unitary_coupled_cluster.density_matrix module slowquant.unitary_coupled_cluster.fermionic_operator module slowquant.unitary_coupled_cluster.linear_response.allprojected module slowquant.unitary_coupled_cluster.linear_response.allselfconsistent module slowquant.unitary_coupled_cluster.linear_response.allstatetransfer module slowquant.unitary_coupled_cluster.linear_response.lr_baseclass module slowquant.unitary_coupled_cluster.linear_response.naive module slowquant.unitary_coupled_cluster.linear_response.projected module slowquant.unitary_coupled_cluster.linear_response.projected_statetransfer module slowquant.unitary_coupled_cluster.linear_response.selfconsistent module slowquant.unitary_coupled_cluster.linear_response.statetransfer module slowquant.unitary_coupled_cluster.operator_extended module slowquant.unitary_coupled_cluster.operator_matrix module slowquant.unitary_coupled_cluster.operators module slowquant.unitary_coupled_cluster.optimizers module slowquant.unitary_coupled_cluster.sa_ups_wavefunction module slowquant.unitary_coupled_cluster.ucc_wavefunction module slowquant.unitary_coupled_cluster.ups_wavefunction module slowquant.unitary_coupled_cluster.util module spin_contamination (slowquant.hartreefock.hartreefockclass._HartreeFock property)

T

T1_extended_matrix() (in module slowquant.unitary_coupled_cluster.operator_extended) T1_matrix() (in module slowquant.unitary_coupled_cluster.operator_matrix) T1_sa_extended_matrix() (in module slowquant.unitary_coupled_cluster.operator_extended) T1_sa_matrix() (in module slowquant.unitary_coupled_cluster.operator_matrix) T2_1_sa_extended_matrix() (in module slowquant.unitary_coupled_cluster.operator_extended) T2_1_sa_matrix() (in module slowquant.unitary_coupled_cluster.operator_matrix) T2_2_sa_extended_matrix() (in module slowquant.unitary_coupled_cluster.operator_extended) T2_2_sa_matrix() (in module slowquant.unitary_coupled_cluster.operator_matrix) T2_extended_matrix() (in module slowquant.unitary_coupled_cluster.operator_extended) T2_matrix() (in module slowquant.unitary_coupled_cluster.operator_matrix) T3_extended_matrix() (in module slowquant.unitary_coupled_cluster.operator_extended) T3_matrix() (in module slowquant.unitary_coupled_cluster.operator_matrix)

T4_extended_matrix() (in module slowquant.unitary_coupled_cluster.operator_extended) T4_matrix() (in module slowquant.unitary_coupled_cluster.operator_matrix) T5_extended_matrix() (in module slowquant.unitary_coupled_cluster.operator_extended) T5_matrix() (in module slowquant.unitary_coupled_cluster.operator_matrix) T6_extended_matrix() (in module slowquant.unitary_coupled_cluster.operator_extended) T6_matrix() (in module slowquant.unitary_coupled_cluster.operator_matrix) thetas (slowquant.qiskit_interface.circuit_wavefunction.WaveFunctionCircuit property) (slowquant.unitary_coupled_cluster.sa_ups_wavefunction.WaveFunctionSAUPS property) (slowquant.unitary_coupled_cluster.ucc_wavefunction.WaveFunctionUCC property) (slowquant.unitary_coupled_cluster.ups_wavefunction.WaveFunctionUPS property) to_CBS_measurement() (in module slowquant.qiskit_interface.util) tUPS() (in module slowquant.qiskit_interface.custom_ansatz) two_electron_integral_transform() (in module slowquant.molecularintegrals.integralfunctions)

U

UccStructure (class in slowquant.unitary_coupled_cluster.util)

update_distr() (slowquant.qiskit_interface.util.Clique method) UpsStructure (class in slowquant.unitary_coupled_cluster.util)

W

WaveFunctionCircuit (class in slowquant.qiskit_interface.circuit_wavefunction) WaveFunctionSAUPS (class in slowquant.unitary_coupled_cluster.sa_ups_wavefunction)

WaveFunctionUCC (class in slowquant.unitary_coupled_cluster.ucc_wavefunction) WaveFunctionUPS (class in slowquant.unitary_coupled_cluster.ups_wavefunction)