Multipole polarizabilities and long-range interactions of the fluorine atom

O ZATSARINNY, K BARTSCHAT, James Mitroy, Jun-Yi Zhang

    Research output: Contribution to journalArticle

    Abstract

    The polarizabilities of the ground state of fluorine are determined by the box-based B -spline configuration-interaction method. The ground-state static and tensor polarizabilities are calculated as ?d =3.49 a 0 3 and ?2 =0.303 a0 3, respectively. The resulting excitation matrix elements are employed to compute the interatomic dispersion interactions for the HF and F2 molecules. � 2009 American Institute of Physics.
    Original languageEnglish
    Pages (from-to)124310-
    JournalJournal of Chemical Physics
    Volume130
    Publication statusPublished - 2009

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    ZATSARINNY, O., BARTSCHAT, K., Mitroy, J., & Zhang, J-Y. (2009). Multipole polarizabilities and long-range interactions of the fluorine atom. Journal of Chemical Physics, 130, 124310-.