SlowQuant
How to use
Qiskit Interface:
Classical Unitary Coupled Cluster:
- Unitary Coupled Cluster Wave Function
- Unitary Coupled Cluster Linear Response
- Unitary Coupled Cluster Base
StateVectorkronecker_product()kronecker_product_cached()symbol_to_mat()expm()matmul()outer()zeros_like()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()OperatorHybridOperatorHybridDataStateVectorOperatorStateVectorOperatorDataconvert_pauli_to_hybrid_form()epq_hybrid()expectation_value_hybrid()expectation_value_hybrid_flow()expectation_value_hybrid_flow_commutator()expectation_value_hybrid_flow_double_commutator()hamiltonian_hybrid_0i_0a()hamiltonian_hybrid_1i_1a()hamiltonian_hybrid_2i_2a()make_projection_operator()one_elec_op_hybrid_0i_0a()one_elec_op_hybrid_1i_1a()a_op_spin_matrix()epq_matrix()OperatorPaulia_pauli()a_spin_pauli()commutator_pauli()epq_pauli()epqrs_pauli()expectation_value_pauli()hamiltonian_pauli()hamiltonian_pauli_0i_0a()hamiltonian_pauli_1i_1a()hamiltonian_pauli_2i_2a()one_elec_op_pauli_0i_0a()one_elec_op_pauli_1i_1a()ThetaPickerconstruct_integral_trans_mat()construct_ucc_u()iterate_t1()iterate_t1_sa()iterate_t1_sa_matrix()iterate_t2()iterate_t2_sa()iterate_t2_sa_matrix()iterate_t3()iterate_t4()iterate_t5()iterate_t6()
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