pyscfad.tdscf.rhf.TDBase.get_ab

TDBase.get_ab(mf=None)

A and B matrices for TDDFT response function.

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

Ref: Chem Phys Lett, 256, 454