Molecular charge distribution of CO

G. de With, D. Feil

    Research output: Contribution to journalArticleAcademic

    24 Citations (Scopus)
    1 Downloads (Pure)

    Abstract

    The difference electron density of CO is studied by comparison of several calculations. It is shown that the Hartree-Fock-Slater and Hartree-Fock methods yield equally good charge-distributions and that the use of minimal basis sets should be avoided.
    Original languageEnglish
    Pages (from-to)279-283
    JournalChemical physics letters
    Volume30
    Issue number2
    DOIs
    Publication statusPublished - 1975

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