SELF-CONSISTENT BRUECKNER THEORY FOR MOLECULAR-ORBITALS

Equations for obtaining the Brueckner orbitals are proposed; it is sho wn that they can be reduced to the eigenvalue problem of some effectiv e one-electron operator. The possible ways of solving the suggested eq uations and the different initial approximations in the iterative proc edure are discussed. It is established, that the problem of obtaining the Brueckner orbitals may be reduced to the symmetrization of the tra nsition density matrix between the initial CI wavefunction and the ref erence determinant.