pyscfad.tdscf.rhf.get_ab#

pyscfad.tdscf.rhf.get_ab(mf, mo_energy=None, mo_coeff=None, mo_occ=None)[source]#

A and B matrices for TDDFT response function.

A[i,a,j,b] = delta_{ab}delta_{ij}(E_a - E_i) + (ia||bj) B[i,a,j,b] = (ia||jb)