Index

B

BaseExchangeCorrelationFunctional (class in functionals)

BaseHartreeFock (class in functionals)

C

constants module

D

DerivativeTool (class in utils)

E

e_c() (functionals.BaseExchangeCorrelationFunctional method) (functionals.ExponentialLDAFunctional method) e_x() (functionals.BaseExchangeCorrelationFunctional method) (functionals.ExponentialLDAFunctional method) EigenSolver (class in non_interacting_solver) examples.hf_scf_example module examples.ks_dft_example module

examples.two_poschl_teller module exp_hydrogenic() (in module ext_potentials) ExponentialHF (class in functionals) ExponentialLDAFunctional (class in functionals) ext_potentials module

F

functionals module

G

gaussian_dips() (in module ext_potentials) get_dx() (in module utils) get_E_c() (functionals.BaseExchangeCorrelationFunctional method) get_E_x() (functionals.BaseExchangeCorrelationFunctional method) (functionals.ExponentialHF method)

get_E_x_HF() (hf_scf.HF_Solver method) get_kinetic_matrix() (non_interacting_solver.EigenSolver method) get_latex_table_atoms() (in module examples.hf_scf_example) (in module examples.ks_dft_example) get_plotting_params() (in module examples.two_poschl_teller) get_potential_matrix() (non_interacting_solver.EigenSolver method)

H

harmonic_oscillator() (in module ext_potentials) hartree_potential() (in module functionals) hf_scf module

hf_scf_atom() (in module examples.hf_scf_example) HF_Solver (class in hf_scf)

I

init_v_eff() (hf_scf.HF_Solver method) init_v_s() (ks_dft.KS_Solver method)

integral() (utils.IntegralTool method) IntegralTool (class in utils) is_solved() (non_interacting_solver.SolverBase method)

K

kronig_penney() (in module ext_potentials) ks_dft module

KS_Solver (class in ks_dft)

L

lda_ks_dft_atom() (in module examples.ks_dft_example)

M

module constants examples.hf_scf_example examples.ks_dft_example examples.two_poschl_teller ext_potentials functionals hf_scf ks_dft non_interacting_solver utils

N

non_interacting_solver module

P

plot_and_save() (in module examples.two_poschl_teller) plot_multiple_and_save() (in module examples.two_poschl_teller)

poschl_teller() (in module ext_potentials) poschl_teller_eigen_energy() (in module ext_potentials) poschl_teller_energy() (in module ext_potentials)

Q

quadratic() (in module utils)

quartic_oscillator() (in module ext_potentials)

S

single_atom() (in module examples.hf_scf_example) (in module examples.ks_dft_example) solve_ground_state() (non_interacting_solver.EigenSolver method) (non_interacting_solver.SolverBase method) (non_interacting_solver.SparseEigenSolver method)

solve_self_consistent_density() (hf_scf.HF_Solver method) (ks_dft.KS_Solver method) SolverBase (class in non_interacting_solver) SparseEigenSolver (class in non_interacting_solver)

T

two_poschl_teller() (in module examples.two_poschl_teller)

U

update_fock_matrix() (functionals.ExponentialHF method) update_potential() (non_interacting_solver.EigenSolver method)

utils module

V

v_h() (functionals.BaseExchangeCorrelationFunctional method) (functionals.BaseHartreeFock method) (functionals.ExponentialHF method) (functionals.ExponentialLDAFunctional method) v_hf() (functionals.BaseHartreeFock method) v_s_down() (functionals.BaseExchangeCorrelationFunctional method)

v_s_up() (functionals.BaseExchangeCorrelationFunctional method) v_xc_down() (functionals.BaseExchangeCorrelationFunctional method) (functionals.ExponentialLDAFunctional method) v_xc_up() (functionals.BaseExchangeCorrelationFunctional method) (functionals.ExponentialLDAFunctional method) vw_grid() (in module utils)