source.qed_matrix_working_equations module

class source.qed_matrix_working_equations.AdcBlock(apply, diagonal)

Bases: tuple

Create new instance of AdcBlock(apply, diagonal)

apply

Alias for field number 0

diagonal

Alias for field number 1

source.qed_matrix_working_equations.adc2_i1(hf, mp, intermediates)

source.qed_matrix_working_equations.adc2_i2(hf, mp, intermediates)

source.qed_matrix_working_equations.adc2_qed_couple_i1(hf, mp, intermediates)

source.qed_matrix_working_equations.adc2_qed_couple_i2(hf, mp, intermediates)

source.qed_matrix_working_equations.adc2_qed_i1(hf, mp, intermediates)

source.qed_matrix_working_equations.adc2_qed_i2(hf, mp, intermediates)

source.qed_matrix_working_equations.adc2_qed_ph_ph_2_phot_couple_gs_part(hf, mp, intermediates)

source.qed_matrix_working_equations.adc2_qed_ph_ph_2_phot_couple_inner_gs_part(hf, mp, intermediates)

source.qed_matrix_working_equations.adc2_qed_phot_couple_i1(hf, mp, intermediates)

source.qed_matrix_working_equations.adc2_qed_phot_couple_i2(hf, mp, intermediates)

source.qed_matrix_working_equations.block_cvs_ph_ph_1(hf, mp, intermediates)

source.qed_matrix_working_equations.block_cvs_ph_pphh_1(hf, mp, intermediates)

source.qed_matrix_working_equations.block_cvs_pphh_ph_1(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_gs_0(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_gs_0_couple(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_gs_0_couple_edge(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_gs_0_couple_inner(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_gs_0_phot(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_gs_0_phot2(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_gs_0_phot_couple(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_gs_0_phot_couple_edge(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_gs_0_phot_couple_inner(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_gs_1(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_gs_1_couple(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_gs_1_couple_edge(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_gs_1_couple_inner(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_gs_1_phot(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_gs_1_phot2(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_gs_1_phot_couple(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_gs_1_phot_couple_edge(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_gs_1_phot_couple_inner(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_gs_2(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_gs_2_couple(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_gs_2_couple_edge(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_gs_2_couple_inner(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_gs_2_phot(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_gs_2_phot2(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_gs_2_phot_couple(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_gs_2_phot_couple_edge(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_gs_2_phot_couple_inner(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_ph_0(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_ph_0_couple(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_ph_0_couple_edge(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_ph_0_couple_inner(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_ph_0_phot(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_ph_0_phot2(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_ph_0_phot_couple(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_ph_0_phot_couple_edge(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_ph_0_phot_couple_inner(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_ph_1(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_ph_1_couple(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_ph_1_couple_edge(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_ph_1_couple_inner(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_ph_1_phot(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_ph_1_phot2(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_ph_1_phot_couple(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_ph_1_phot_couple_edge(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_ph_1_phot_couple_inner(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_ph_2(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_ph_2_couple(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_ph_2_couple_edge(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_ph_2_couple_inner(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_ph_2_phot(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_ph_2_phot2(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_ph_2_phot_couple(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_ph_2_phot_couple_edge(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_ph_2_phot_couple_inner(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_pphh_0(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_pphh_0_couple(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_pphh_0_couple_edge(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_pphh_0_couple_inner(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_pphh_0_phot(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_pphh_0_phot2(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_pphh_0_phot_couple(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_pphh_0_phot_couple_edge(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_pphh_0_phot_couple_inner(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_pphh_1(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_pphh_1_couple(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_pphh_1_couple_edge(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_pphh_1_couple_inner(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_pphh_1_phot(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_pphh_1_phot2(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_pphh_1_phot_couple(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_pphh_1_phot_couple_edge(hf, mp, intermediates)

source.qed_matrix_working_equations.block_ph_pphh_1_phot_couple_inner(hf, mp, intermediates)

source.qed_matrix_working_equations.block_pphh_ph_0(hf, mp, intermediates)

source.qed_matrix_working_equations.block_pphh_ph_0_couple(hf, mp, intermediates)

source.qed_matrix_working_equations.block_pphh_ph_0_couple_edge(hf, mp, intermediates)

source.qed_matrix_working_equations.block_pphh_ph_0_couple_inner(hf, mp, intermediates)

source.qed_matrix_working_equations.block_pphh_ph_0_phot(hf, mp, intermediates)

source.qed_matrix_working_equations.block_pphh_ph_0_phot2(hf, mp, intermediates)

source.qed_matrix_working_equations.block_pphh_ph_0_phot_couple(hf, mp, intermediates)

source.qed_matrix_working_equations.block_pphh_ph_0_phot_couple_edge(hf, mp, intermediates)

source.qed_matrix_working_equations.block_pphh_ph_0_phot_couple_inner(hf, mp, intermediates)

source.qed_matrix_working_equations.block_pphh_ph_1(hf, mp, intermediates)

source.qed_matrix_working_equations.block_pphh_ph_1_couple(hf, mp, intermediates)

source.qed_matrix_working_equations.block_pphh_ph_1_couple_edge(hf, mp, intermediates)

source.qed_matrix_working_equations.block_pphh_ph_1_couple_inner(hf, mp, intermediates)

source.qed_matrix_working_equations.block_pphh_ph_1_phot(hf, mp, intermediates)

source.qed_matrix_working_equations.block_pphh_ph_1_phot2(hf, mp, intermediates)

source.qed_matrix_working_equations.block_pphh_ph_1_phot_couple(hf, mp, intermediates)

source.qed_matrix_working_equations.block_pphh_ph_1_phot_couple_edge(hf, mp, intermediates)

source.qed_matrix_working_equations.block_pphh_ph_1_phot_couple_inner(hf, mp, intermediates)

source.qed_matrix_working_equations.block_pphh_pphh_0(hf, mp, intermediates)

source.qed_matrix_working_equations.block_pphh_pphh_0_couple(hf, mp, intermediates)

source.qed_matrix_working_equations.block_pphh_pphh_0_couple_edge(hf, mp, intermediates)

source.qed_matrix_working_equations.block_pphh_pphh_0_couple_inner(hf, mp, intermediates)

source.qed_matrix_working_equations.block_pphh_pphh_0_phot(hf, mp, intermediates)

source.qed_matrix_working_equations.block_pphh_pphh_0_phot2(hf, mp, intermediates)

source.qed_matrix_working_equations.block_pphh_pphh_0_phot_couple(hf, mp, intermediates)

source.qed_matrix_working_equations.block_pphh_pphh_0_phot_couple_edge(hf, mp, intermediates)

source.qed_matrix_working_equations.block_pphh_pphh_0_phot_couple_inner(hf, mp, intermediates)

source.qed_matrix_working_equations.delta_ia_omega(hf, mp, intermediates)

source.qed_matrix_working_equations.diagonal_pphh_pphh_0(hf, to_add)

source.qed_matrix_working_equations.qed_adc2_ph_gs_intermediate(hf, mp, intermediates)

source.qed_matrix_working_equations.qed_block(ground_state, spaces, order, variant=None, intermediates=None)

Dispatcher for the individual QED ADC matrix subblocks.

For QED-ADC (up to double photon dispersion) we build the matrix as follows: [[elec, phot_couple, phot_couple_edge ], [elec_couple, phot, phot_couple_inner], [elec_couple_edge, elec_couple_inner, phot2 ]] where each block is a “standard” ADC matrix itself, including the groundstate and the groundstate couplings. However, the gs_ph and gs_gs blocks are merged into the ph_ph and ph_gs blocks, respectively, since we calculate matrix vector products anyway. Note, that the purely electronic groundstate never appears, since it is always zero.

source.qed_matrix_working_equations.term_t2_eri(hf, mp, intermediates)