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Modules
general_hubbard module: This module constructs Hamiltonians for the multiband Fermi-Hubbard model.
hartree_fock module: Module performs gradient based RHF, [WIP] UHF, [WIP] GHF
hubbard module: This module constructs Hamiltonians for the Fermi- and Bose-Hubbard models.
jellium module: This module constructs Hamiltonians for the uniform electron gas.
jellium_hf_state module: This module constructs the uniform electron gas' Hartree-Fock state.
richardson_gaudin module: This module constructs Hamiltonians of the Richardson Gaudin type.
special_operators module: Commonly used operators (mainly instances of SymbolicOperator).
Classes
class FermiHubbardModel: A general, parameterized Fermi-Hubbard model.
class HartreeFockFunctional: Implementation of the objective function code for Restricted Hartree-Fock
class RichardsonGaudin: Richardson Gaudin model.
Functions
bose_hubbard(...): Return symbolic representation of a Bose-Hubbard Hamiltonian.
dual_basis_external_potential(...): Return the external potential in the dual basis of arXiv:1706.00023.
dual_basis_jellium_model(...): Return jellium Hamiltonian in the dual basis of arXiv:1706.00023
dual_basis_kinetic(...): Return the kinetic operator in the dual basis of arXiv:1706.00023.
dual_basis_potential(...): Return the potential operator in the dual basis of arXiv:1706.00023
fermi_hubbard(...): Return symbolic representation of a Fermi-Hubbard Hamiltonian.
get_matrix_of_eigs(...): Transform the eigenvalues into a matrix corresponding to summing the adjoint rep.
hartree_fock_state_jellium(...): Give the Hartree-Fock state of jellium.
hypercube_grid_with_given_wigner_seitz_radius_and_filling(...): Return a Grid with the same number of orbitals along each dimension with the specified Wigner-Seitz radius.
jellium_model(...): Return jellium Hamiltonian as FermionOperator class.
jordan_wigner_dual_basis_hamiltonian(...): Return the dual basis Hamiltonian as QubitOperator.
jordan_wigner_dual_basis_jellium(...): Return the jellium Hamiltonian as QubitOperator in the dual basis.
lowest_single_particle_energy_states(...): Find the lowest single-particle states of the given Hamiltonian.
majorana_operator(...): Initialize a Majorana operator.
mean_field_dwave(...): Return symbolic representation of a BCS mean-field d-wave Hamiltonian.
number_difference_operator(...)
number_operator(...): Return a fermionic or bosonic number operator.
plane_wave_external_potential(...): Return the external potential operator in plane wave basis.
plane_wave_hamiltonian(...): Returns Hamiltonian as FermionOperator class.
plane_wave_kinetic(...): Return the kinetic energy operator in the plane wave basis.
plane_wave_potential(...): Return the e-e potential operator in the plane wave basis.
rhf_func_generator(...): Generate the energy, gradient, and unitary functions
rhf_minimization(...): Perform Hartree-Fock energy minimization
rhf_params_to_matrix(...): For restricted Hartree-Fock we have nocc * nvirt parameters.
s_plus_operator(...): Return the s+ operator.
s_squared_operator(...): Return the s^{2} operator.
sx_operator(...): Return the sx operator.
sy_operator(...): Return the sy operator.
sz_operator(...): Return the sz operator.
wigner_seitz_length_scale(...): Function to give length_scale associated with Wigner-Seitz radius.