SlowQuant
- Unitary Coupled Cluster Wave Function
- Unitary Coupled Cluster Linear Response
- Unitary Coupled Cluster Base
StateVector
kronecker_product()
kronecker_product_cached()
symbol_to_mat()
expm()
matmul()
outer()
zeros_like()
ReducedDenstiyMatrix
get_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()
OperatorHybrid
OperatorHybridData
StateVectorOperator
StateVectorOperatorData
convert_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()
OperatorPauli
a_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()
ThetaPicker
construct_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()
- SlowQuant (class)
- molecule
- molecularintegrals
_Integral
boys_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