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