! --- BEGIN_PROVIDER [double precision, TCSCF_density_matrix_ao_beta, (ao_num, ao_num)] BEGIN_DOC ! ! TC-SCF transition density matrix on the AO basis for BETA electrons ! END_DOC implicit none PROVIDE mo_l_coef mo_r_coef TCSCF_density_matrix_ao_beta = TCSCF_bi_ort_dm_ao_beta END_PROVIDER ! --- BEGIN_PROVIDER [double precision, TCSCF_density_matrix_ao_alpha, (ao_num, ao_num)] BEGIN_DOC ! ! TC-SCF transition density matrix on the AO basis for ALPHA electrons ! END_DOC implicit none PROVIDE mo_l_coef mo_r_coef TCSCF_density_matrix_ao_alpha = TCSCF_bi_ort_dm_ao_alpha END_PROVIDER ! --- BEGIN_PROVIDER [double precision, TCSCF_density_matrix_ao_tot, (ao_num, ao_num)] BEGIN_DOC ! ! TC-SCF transition density matrix on the AO basis for ALPHA+BETA electrons ! END_DOC implicit none TCSCF_density_matrix_ao_tot = TCSCF_density_matrix_ao_beta + TCSCF_density_matrix_ao_alpha END_PROVIDER