Index

_

__init__() (source.full_qed_matrix.qed_matrix_full method) (source.qed_amplitude_vec.qed_amplitude_vec method) (source.qed_mp.qed_mp method) (source.refstate.refstate method)

A

adc2_i1() (in module source.qed_matrix_working_equations) adc2_i2() (in module source.qed_matrix_working_equations) adc2_qed_couple_i1() (in module source.qed_matrix_working_equations) adc2_qed_couple_i2() (in module source.qed_matrix_working_equations) adc2_qed_i1() (in module source.qed_matrix_working_equations) adc2_qed_i2() (in module source.qed_matrix_working_equations)

adc2_qed_ph_ph_2_phot_couple_gs_part() (in module source.qed_matrix_working_equations) adc2_qed_ph_ph_2_phot_couple_inner_gs_part() (in module source.qed_matrix_working_equations) adc2_qed_phot_couple_i1() (in module source.qed_matrix_working_equations) adc2_qed_phot_couple_i2() (in module source.qed_matrix_working_equations) AdcBlock (class in source.qed_matrix_working_equations) apply (source.qed_matrix_working_equations.AdcBlock attribute)

B

block_cvs_ph_ph_1() (in module source.qed_matrix_working_equations) block_cvs_ph_pphh_1() (in module source.qed_matrix_working_equations) block_cvs_pphh_ph_1() (in module source.qed_matrix_working_equations) block_ph_gs_0() (in module source.qed_matrix_working_equations) block_ph_gs_0_couple() (in module source.qed_matrix_working_equations) block_ph_gs_0_couple_edge() (in module source.qed_matrix_working_equations) block_ph_gs_0_couple_inner() (in module source.qed_matrix_working_equations) block_ph_gs_0_phot() (in module source.qed_matrix_working_equations) block_ph_gs_0_phot2() (in module source.qed_matrix_working_equations) block_ph_gs_0_phot_couple() (in module source.qed_matrix_working_equations) block_ph_gs_0_phot_couple_edge() (in module source.qed_matrix_working_equations) block_ph_gs_0_phot_couple_inner() (in module source.qed_matrix_working_equations) block_ph_gs_1() (in module source.qed_matrix_working_equations) block_ph_gs_1_couple() (in module source.qed_matrix_working_equations) block_ph_gs_1_couple_edge() (in module source.qed_matrix_working_equations) block_ph_gs_1_couple_inner() (in module source.qed_matrix_working_equations) block_ph_gs_1_phot() (in module source.qed_matrix_working_equations) block_ph_gs_1_phot2() (in module source.qed_matrix_working_equations) block_ph_gs_1_phot_couple() (in module source.qed_matrix_working_equations) block_ph_gs_1_phot_couple_edge() (in module source.qed_matrix_working_equations) block_ph_gs_1_phot_couple_inner() (in module source.qed_matrix_working_equations) block_ph_gs_2() (in module source.qed_matrix_working_equations) block_ph_gs_2_couple() (in module source.qed_matrix_working_equations) block_ph_gs_2_couple_edge() (in module source.qed_matrix_working_equations) block_ph_gs_2_couple_inner() (in module source.qed_matrix_working_equations) block_ph_gs_2_phot() (in module source.qed_matrix_working_equations) block_ph_gs_2_phot2() (in module source.qed_matrix_working_equations) block_ph_gs_2_phot_couple() (in module source.qed_matrix_working_equations) block_ph_gs_2_phot_couple_edge() (in module source.qed_matrix_working_equations) block_ph_gs_2_phot_couple_inner() (in module source.qed_matrix_working_equations) block_ph_ph_0() (in module source.qed_matrix_working_equations) block_ph_ph_0_couple() (in module source.qed_matrix_working_equations) block_ph_ph_0_couple_edge() (in module source.qed_matrix_working_equations) block_ph_ph_0_couple_inner() (in module source.qed_matrix_working_equations) block_ph_ph_0_phot() (in module source.qed_matrix_working_equations) block_ph_ph_0_phot2() (in module source.qed_matrix_working_equations) block_ph_ph_0_phot_couple() (in module source.qed_matrix_working_equations) block_ph_ph_0_phot_couple_edge() (in module source.qed_matrix_working_equations) block_ph_ph_0_phot_couple_inner() (in module source.qed_matrix_working_equations) block_ph_ph_1() (in module source.qed_matrix_working_equations) block_ph_ph_1_couple() (in module source.qed_matrix_working_equations) block_ph_ph_1_couple_edge() (in module source.qed_matrix_working_equations) block_ph_ph_1_couple_inner() (in module source.qed_matrix_working_equations) block_ph_ph_1_phot() (in module source.qed_matrix_working_equations) block_ph_ph_1_phot2() (in module source.qed_matrix_working_equations) block_ph_ph_1_phot_couple() (in module source.qed_matrix_working_equations) block_ph_ph_1_phot_couple_edge() (in module source.qed_matrix_working_equations) block_ph_ph_1_phot_couple_inner() (in module source.qed_matrix_working_equations) block_ph_ph_2() (in module source.qed_matrix_working_equations) block_ph_ph_2_couple() (in module source.qed_matrix_working_equations) block_ph_ph_2_couple_edge() (in module source.qed_matrix_working_equations)

block_ph_ph_2_couple_inner() (in module source.qed_matrix_working_equations) block_ph_ph_2_phot() (in module source.qed_matrix_working_equations) block_ph_ph_2_phot2() (in module source.qed_matrix_working_equations) block_ph_ph_2_phot_couple() (in module source.qed_matrix_working_equations) block_ph_ph_2_phot_couple_edge() (in module source.qed_matrix_working_equations) block_ph_ph_2_phot_couple_inner() (in module source.qed_matrix_working_equations) block_ph_pphh_0() (in module source.qed_matrix_working_equations) block_ph_pphh_0_couple() (in module source.qed_matrix_working_equations) block_ph_pphh_0_couple_edge() (in module source.qed_matrix_working_equations) block_ph_pphh_0_couple_inner() (in module source.qed_matrix_working_equations) block_ph_pphh_0_phot() (in module source.qed_matrix_working_equations) block_ph_pphh_0_phot2() (in module source.qed_matrix_working_equations) block_ph_pphh_0_phot_couple() (in module source.qed_matrix_working_equations) block_ph_pphh_0_phot_couple_edge() (in module source.qed_matrix_working_equations) block_ph_pphh_0_phot_couple_inner() (in module source.qed_matrix_working_equations) block_ph_pphh_1() (in module source.qed_matrix_working_equations) block_ph_pphh_1_couple() (in module source.qed_matrix_working_equations) block_ph_pphh_1_couple_edge() (in module source.qed_matrix_working_equations) block_ph_pphh_1_couple_inner() (in module source.qed_matrix_working_equations) block_ph_pphh_1_phot() (in module source.qed_matrix_working_equations) block_ph_pphh_1_phot2() (in module source.qed_matrix_working_equations) block_ph_pphh_1_phot_couple() (in module source.qed_matrix_working_equations) block_ph_pphh_1_phot_couple_edge() (in module source.qed_matrix_working_equations) block_ph_pphh_1_phot_couple_inner() (in module source.qed_matrix_working_equations) block_pphh_ph_0() (in module source.qed_matrix_working_equations) block_pphh_ph_0_couple() (in module source.qed_matrix_working_equations) block_pphh_ph_0_couple_edge() (in module source.qed_matrix_working_equations) block_pphh_ph_0_couple_inner() (in module source.qed_matrix_working_equations) block_pphh_ph_0_phot() (in module source.qed_matrix_working_equations) block_pphh_ph_0_phot2() (in module source.qed_matrix_working_equations) block_pphh_ph_0_phot_couple() (in module source.qed_matrix_working_equations) block_pphh_ph_0_phot_couple_edge() (in module source.qed_matrix_working_equations) block_pphh_ph_0_phot_couple_inner() (in module source.qed_matrix_working_equations) block_pphh_ph_1() (in module source.qed_matrix_working_equations) block_pphh_ph_1_couple() (in module source.qed_matrix_working_equations) block_pphh_ph_1_couple_edge() (in module source.qed_matrix_working_equations) block_pphh_ph_1_couple_inner() (in module source.qed_matrix_working_equations) block_pphh_ph_1_phot() (in module source.qed_matrix_working_equations) block_pphh_ph_1_phot2() (in module source.qed_matrix_working_equations) block_pphh_ph_1_phot_couple() (in module source.qed_matrix_working_equations) block_pphh_ph_1_phot_couple_edge() (in module source.qed_matrix_working_equations) block_pphh_ph_1_phot_couple_inner() (in module source.qed_matrix_working_equations) block_pphh_pphh_0() (in module source.qed_matrix_working_equations) block_pphh_pphh_0_couple() (in module source.qed_matrix_working_equations) block_pphh_pphh_0_couple_edge() (in module source.qed_matrix_working_equations) block_pphh_pphh_0_couple_inner() (in module source.qed_matrix_working_equations) block_pphh_pphh_0_phot() (in module source.qed_matrix_working_equations) block_pphh_pphh_0_phot2() (in module source.qed_matrix_working_equations) block_pphh_pphh_0_phot_couple() (in module source.qed_matrix_working_equations) block_pphh_pphh_0_phot_couple_edge() (in module source.qed_matrix_working_equations) block_pphh_pphh_0_phot_couple_inner() (in module source.qed_matrix_working_equations)

C

copy() (source.qed_amplitude_vec.qed_amplitude_vec method)

D

delta_ia_omega() (in module source.qed_matrix_working_equations) diagonal (source.qed_matrix_working_equations.AdcBlock attribute) diagonal() (source.full_qed_matrix.qed_matrix_full method)

diagonal_pphh_pphh_0() (in module source.qed_matrix_working_equations) diagonalizer() (in module source.workflow) dot() (source.qed_amplitude_vec.qed_amplitude_vec method)

E

eri() (source.refstate.refstate method)

evaluate() (in module source.functions) (source.qed_amplitude_vec.qed_amplitude_vec method)

F

first_order_coupling() (source.qed_matrix_from_diag_adc.qed_matrix_from_diag_adc method)

first_order_qed_matrix() (in module source.qed_adc_in_std_basis_with_self_en)

G

get_qed_total_dip() (source.refstate.refstate method)

L

lincomb() (in module source.functions)

loop_helper() (source.qed_matrix_from_diag_adc.qed_matrix_from_diag_adc method)

M

module source, [1] source.backends source.full_qed_matrix, [1] source.functions, [1] source.qed_adc_in_std_basis_with_self_en, [1] source.qed_amplitude_vec, [1] source.qed_matrix_from_diag_adc, [1] source.qed_matrix_working_equations, [1] source.qed_mp, [1] source.qed_npadc_exstates, [1] source.qed_npadc_s2s_tdm_terms, [1] source.qed_ucc, [1] source.refstate, [1] source.solver source.solver.davidson source.solver.diis source.solver.lanczos source.solver.LanczosIterator source.solver.orthogonaliser source.workflow, [1]

N

needs_evaluation (source.qed_amplitude_vec.qed_amplitude_vec property)

O

obtain_guesses_by_inspection_qed() (in module source.workflow)

Q

qed_adc2_ph_gs_intermediate() (in module source.qed_matrix_working_equations) qed_amplitude_vec (class in source.qed_amplitude_vec) qed_block() (in module source.qed_matrix_working_equations) qed_D_object() (source.refstate.refstate method) qed_energy() (source.qed_mp.qed_mp method) qed_energy_correction() (source.qed_mp.qed_mp method) qed_matrix_from_diag_adc (class in source.qed_matrix_from_diag_adc) qed_matrix_full (class in source.full_qed_matrix) qed_mp (class in source.qed_mp)

qed_npadc_exstates (class in source.qed_npadc_exstates) qed_npadc_s2s_tdm_terms() (in module source.qed_npadc_s2s_tdm_terms) qed_second_order_ph_ph_couplings() (source.qed_npadc_exstates.qed_npadc_exstates method) qed_t0() (source.qed_mp.qed_mp method) qed_t0_df() (source.qed_mp.qed_mp method) qed_t1() (source.qed_mp.qed_mp method) (source.qed_ucc.qed_ucc method) qed_t1_df() (source.qed_mp.qed_mp method) qed_ucc (class in source.qed_ucc)

R

refstate (class in source.refstate)

run_qed_adc() (in module source) (in module source.workflow)

S

s2s_dipole_moments_qed() (source.qed_npadc_exstates.qed_npadc_exstates method) s2s_tdm_adc0() (in module source.qed_npadc_s2s_tdm_terms) s2s_tdm_qed_adc2_diag_part() (in module source.qed_npadc_s2s_tdm_terms) s2s_tdm_qed_adc2_edge_part_couple() (in module source.qed_npadc_s2s_tdm_terms) s2s_tdm_qed_adc2_edge_part_phot_couple() (in module source.qed_npadc_s2s_tdm_terms) s2s_tdm_qed_adc2_ph_pphh_coupl_part() (in module source.qed_npadc_s2s_tdm_terms) s2s_tdm_qed_adc2_pphh_ph_phot_coupl_part() (in module source.qed_npadc_s2s_tdm_terms) second_order_coupling() (source.qed_matrix_from_diag_adc.qed_matrix_from_diag_adc method) source module, [1] source.backends module source.full_qed_matrix module, [1] source.functions module, [1] source.qed_adc_in_std_basis_with_self_en module, [1] source.qed_amplitude_vec module, [1] source.qed_matrix_from_diag_adc module, [1] source.qed_matrix_working_equations module, [1]

source.qed_mp module, [1] source.qed_npadc_exstates module, [1] source.qed_npadc_s2s_tdm_terms module, [1] source.qed_ucc module, [1] source.refstate module, [1] source.solver module source.solver.davidson module source.solver.diis module source.solver.lanczos module source.solver.LanczosIterator module source.solver.orthogonaliser module source.workflow module, [1]

T

t2() (source.qed_ucc.qed_ucc method) t_ampls (source.qed_ucc.qed_ucc property)

term_t2_eri() (in module source.qed_matrix_working_equations) transition_dipole_moments_qed() (source.qed_npadc_exstates.qed_npadc_exstates method)

U

update_qed_t1_amplitude() (in module source.qed_ucc)

update_t2_amplitude() (in module source.qed_ucc)