Molecular charge distribution of CO

G. de With, D. Feil

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24 Citations (Scopus)

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 languageUndefined
Pages (from-to)279-283
JournalChemical physics letters
Volume30
Issue number2
DOIs
Publication statusPublished - 1975
Externally publishedYes

Keywords

  • IR-68320

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