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

    研究成果: Contribution to journalArticle査読

    24 被引用数 (Scopus)

    抄録

    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.

    本文言語英語
    ページ(範囲)1733-1740
    ページ数8
    ジャーナルJournal of Computational Chemistry
    31
    8
    DOI
    出版ステータス出版済み - 6 1 2010

    All Science Journal Classification (ASJC) codes

    • 化学 (全般)
    • 計算数学

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