Theoretical interpretation of Grimme's spin-component-scaled second order Møller-Plesset theory

Agnes Szabados

doi:10.1063/1.2404660

Theoretical interpretation of Grimme's spin-component-scaled second order Møller-Plesset theory

J Chem Phys. 2006 Dec 7;125(21):214105. doi: 10.1063/1.2404660.

Author

Agnes Szabados¹

Affiliation

¹ Laboratory of Theoretical Chemistry, Institute of Chemistry, Loránd Eötvös University, P.O. Box 32, H-1518 Budapest, Hungary.

PMID: 17166013
DOI: 10.1063/1.2404660

Abstract

It is shown that spin-component-scaled second order Møller-Plesset theory proposed by Grimme [J. Chem. Phys. 118, 9095 (2003)] can be interpreted as a two-parameter scaling of the zero order Hamiltonian, a generalization of the approach reported by Feenberg [Phys. Rev. 103, 1116 (1956)].