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

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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)].

Original languageEnglish
Article number214105
JournalThe Journal of Chemical Physics
Volume125
Issue number21
DOIs
Publication statusPublished - 2006

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Hamiltonians
scaling

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

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abstract = "It is shown that spin-component-scaled second order M{\o}ller-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)].",
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