Advantages and limitations of Kohn–Sham orbitals as single electron basis for multireference configuration interaction and multireference perturbation theory-Reference-Cited by-同舟云学术

Advantages and limitations of Kohn–Sham orbitals as single electron basis for multireference configuration interaction and multireference perturbation theory

Published:2003-12-08 Issue:22 Volume:119 Page:11591-11601
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Hupp Thomas,Engels Bernd,Görling Andreas

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.1624593

Reference57 articles.

1. Consistent generalization of the Møller-Plesset partitioning to open-shell and multiconfigurational SCF reference states in many-body perturbation theory

2. Generalized Møller—Plesset perturbation theory applied to general MCSCF reference wave functions

3. Generalized Mo/ller–Plesset and Epstein–Nesbet perturbation theory applied to multiply bonded molecules

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