Describing electron correlation effects in the framework of the elongation method-elongation-MP2: Formalism, implementation and efficiency

Marcin Makowski; Jacek Korchowiec; Feng Long Gu; Yuriko Aoki

doi:10.1002/jcc.21462

Describing electron correlation effects in the framework of the elongation method-elongation-MP2: Formalism, implementation and efficiency

Marcin Makowski, Jacek Korchowiec, Feng Long Gu, Yuriko Aoki

Research output: Contribution to journal › Article › peer-review

25 Citations (Scopus)

Abstract

The extension of the elongation method into description of electron correlation effects at ab intio level is presented. The formalism and implementation of the elongation-MP2 methodology is discussed. The results of calculations for model systems are presented to illustrate efficiency and accuracy of the method. Directions of the further development are highlighted.

Original language	English
Pages (from-to)	1733-1740
Number of pages	8
Journal	Journal of Computational Chemistry
Volume	31
Issue number	8
DOIs	https://doi.org/10.1002/jcc.21462
Publication status	Published - Jun 2010

All Science Journal Classification (ASJC) codes

Chemistry(all)
Computational Mathematics

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10.1002/jcc.21462

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abstract = "The extension of the elongation method into description of electron correlation effects at ab intio level is presented. The formalism and implementation of the elongation-MP2 methodology is discussed. The results of calculations for model systems are presented to illustrate efficiency and accuracy of the method. Directions of the further development are highlighted.",

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Describing electron correlation effects in the framework of the elongation method-elongation-MP2: Formalism, implementation and efficiency

Abstract

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