A technique developed by Kapuy uses this method with the diagonal part of the Fock matrix as the zeroth-order Hamiltonian. Th
A technique developed by Kapuy uses this method with the diagonal part of the Fock matrix as the zeroth-order Hamiltonian. This method uses a Rayleigh- Schrodinger expansion to reduce correlation energy to an infinite power series - it has been shown to fail at high orders in systems like hydrofluoric acid and neon, where the series turns out to be divergent. Introduced in a 1934 paper by its namesakes, this theory overcomes limitations of mean-field approaches like Hartree-Fock by accounting for particle correlations in many- body molecular systems, treating those correlations as a perturbation. FTP, name this theory used in computational quantum chemistry, which can be abbreviated MP.
A technique developed by Kapuy uses this method with the diagonal part of the Fock matrix as the zeroth-order Hamiltonian.
{Moller-Plesset} perturbation theory (or {MP} Theory before mentioned)