Towards multireference equivalents of the G2 and G3 methods

Theis Solling, Katherine Trebeck, Leo Radom, M Freitag, Mark S Gordon

    Research output: Contribution to journalArticle

    Abstract

    Twelve multireference equivalents of the G2 and G3 methods using reduced Møller-Plesset orders were introduced. The performance of these equivalents was assessed on a slightly reduced G2-1 test set. It was shown that whereas single-reference Gn-type procedures aim to approximate large-basis-set QCISD(T) calculations through additivity approximations, the MR-Gn methods aim to approximate large-basis-set MRCI+Q results.
    Original languageEnglish
    Pages (from-to)8758-8772
    JournalJournal of Chemical Physics
    Volume115
    Issue number19
    DOIs
    Publication statusPublished - 2001

    Fingerprint

    Dive into the research topics of 'Towards multireference equivalents of the G2 and G3 methods'. Together they form a unique fingerprint.

    Cite this