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 journalArticle

    23 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 languageEnglish
    Pages (from-to)1733-1740
    Number of pages8
    JournalJournal of Computational Chemistry
    Volume31
    Issue number8
    DOIs
    Publication statusPublished - Jun 1 2010

    All Science Journal Classification (ASJC) codes

    • Chemistry(all)
    • Computational Mathematics

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