Spin-component-scaled electron correlation methods

Abstract

Spin-component-scaled (SCS) electron correlation methods for electronic structure theory are reviewed. The methods can be derived theoretically by applying special conditions to the underlying wave functions in perturbation theory. They are based on the insight that low-order wave function expansions treat the correlation effects of electron pairs with opposite spin (OS) and same spin (SS) differently because of their different treatment at the underlying Hartree-Fock level. Physically, this is related to the different average inter-electronic distances in the SS and OS electron pairs. The overview starts with the original SCS-MP2 method and discusses its strengths and weaknesses and various..