| Abstract: | The matrix elements of the total Hamiltonian between a multiconfigurational SCF wave function and some well-defined linear combinations of excited Slater determinants are equal to zero. By means of this generalized Brillouin theorem it is possible to estimate the improvements to be expected from a subsequent configuration-interaction treatment. The expression of the effective potential for the orbitals can be also derived in the frame of a given multiconfigurational theory. As an example, the case of the CMC-SCF method recently suggested [9] is examined. |
