SlowQuant
How to use
Qiskit Interface:
Classical Unitary Coupled Cluster:
- Unitary Coupled Cluster Wave Function
- Unitary Coupled Cluster Linear Response
- Unitary Coupled Cluster Util
ReducedDenstiyMatrixget_electronic_energy()get_orbital_gradient()get_orbital_gradient_response()get_orbital_response_hessian_block()get_orbital_response_metric_sigma()get_orbital_response_property_gradient()get_orbital_response_vector_norm()FermionicOperatora_opa_op_spin()do_extended_normal_ordering()operator_string_to_key()operator_to_qiskit_key()Epq_matrix()T1_matrix()T1_sa_matrix()T2_1_sa_matrix()T2_2_sa_matrix()T2_matrix()T3_matrix()T4_matrix()T5_matrix()T6_matrix()build_operator_matrix()construct_ucc_state()construct_ups_state()expectation_value()expectation_value_mat()get_grad_action()get_indexing()propagate_state()propagate_unitary()Eminuspq()Epq()G1()G1_sa()G2()G2_1_sa()G2_2_sa()G3()G4()G5()G6()anni_spin()commutator()double_commutator()epqrs()hamiltonian_0i_0a()hamiltonian_1i_1a()hamiltonian_2i_2a()hamiltonian_full_space()one_elec_op_0i_0a()one_elec_op_1i_1a()one_elec_op_full_space()T1_extended_matrix()T1_sa_extended_matrix()T2_1_sa_extended_matrix()T2_2_sa_extended_matrix()T2_extended_matrix()T3_extended_matrix()T4_extended_matrix()T5_extended_matrix()T6_extended_matrix()build_operator_matrix_extended()construct_ucc_state_extended()construct_ups_state_extended()expectation_value_extended()generate_doubles()generate_singles()get_indexing_extended()propagate_state_extended()UccStructureUpsStructureiterate_pair_t2()iterate_pair_t2_generalized()iterate_t1()iterate_t1_sa()iterate_t1_sa_generalized()iterate_t2()iterate_t2_sa()iterate_t3()iterate_t4()iterate_t5()iterate_t6()
- Optimizers
Conventional Methods:
- SlowQuant (class)
- molecule
- molecularintegrals
_Integralboys_function()expansion_coefficients()hermite_coulomb_integral()hermite_multipole_integral()one_electron_integral_transform()two_electron_integral_transform()multipole_integral()multipole_integral_driver()kinetic_energy_integral()kinetic_energy_integral_driver()nuclear_attraction_integral()nuclear_attraction_integral_driver()electron_repulsion_integral()electron_repulsion_integral_driver()get_cauchy_schwarz_matrix()
- hartreefock
- properties