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

✍ Scribed by Marcin Makowski; Jacek Korchowiec; Feng Long Gu; Yuriko Aoki

Publisher: John Wiley and Sons
Year: 2009
Tongue: English
Weight: 180 KB
Volume: 31
Category: Article
ISSN: 0192-8651
DOI: 10.1002/jcc.21462

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✦ Synopsis

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. © 2009 Wiley Periodicals, Inc. J Comput Chem, 2010

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