source.qed_npadc_s2s_tdm_terms module

source.qed_npadc_s2s_tdm_terms.qed_npadc_s2s_tdm_terms(key, ground_state, amplitude_from, amplitude_to)

Compute the state to state transition density matrix and related intermediates required for the QED matrix in the truncated state space in the MO basis using the intermediate-states representation.

Parameters:

• method (str, AdcMethod) – The method to use for the computation (e.g. “adc2”)

• ground_state (LazyMp) – The ground state upon which the excitation was based

• amplitude_from (AmplitudeVector) – The amplitude vector of the state to start from

• amplitude_to (AmplitudeVector) – The amplitude vector of the state to excite to

• intermediates (adcc.Intermediates) – Intermediates from the ADC calculation to reuse

source.qed_npadc_s2s_tdm_terms.s2s_tdm_adc0(mp, amplitude_l, amplitude_r)

source.qed_npadc_s2s_tdm_terms.s2s_tdm_qed_adc2_diag_part(mp, amplitude_l, amplitude_r)

source.qed_npadc_s2s_tdm_terms.s2s_tdm_qed_adc2_edge_part_couple(mp, amplitude_l, amplitude_r)

source.qed_npadc_s2s_tdm_terms.s2s_tdm_qed_adc2_edge_part_phot_couple(mp, amplitude_l, amplitude_r)

source.qed_npadc_s2s_tdm_terms.s2s_tdm_qed_adc2_ph_pphh_coupl_part(mp, amplitude_l, amplitude_r)

source.qed_npadc_s2s_tdm_terms.s2s_tdm_qed_adc2_pphh_ph_phot_coupl_part(mp, amplitude_l, amplitude_r)