Long-range dispersion coefficients for Li, Li+, and Be + interacting with the rare gases

Li-Yan Tang, Jun-Yi Zhang, Zong-Chao Yan, Ting-Yun Shi, James Mitroy

    Research output: Contribution to journalArticle

    Abstract

    The long-range dispersion coefficients for the ground and excited states of Li, Li+, and Be+ interacting with the He, Ne, Ar, Kr, and Xe atoms in their ground states are determined. The variational Hylleraas method is used to determine the necessary lists of multipole matrix elements for He, Li, Li+, and Be+, while pseudo-oscillator strength distributions are used for the heavier rare gases. Some single electron calculations using a semiempirical Hamiltonian are also performed for Li and Be+ and found to give dispersion coefficients in good agreement with the Hylleraas calculations. Polarizabilities are given for some of the Li and Li+ states and the recommended 7L i+ polarizability including both finite-mass and relativistic effects was 0.192 486 a.u. The impact of finite-mass effects upon the dispersion coefficients has been given for some selected interatomic interactions. � 2010 American Institute of Physics.
    Original languageEnglish
    Pages (from-to)1-10
    Number of pages10
    JournalJournal of Chemical Physics
    Volume133
    Issue number10
    Publication statusPublished - 2010

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