The long-range non-additive three-body dispersion interactions for the rare gases, alkali, and alkaline-earth atoms

Li-Yan Tang, Zong-Chao Yan, Ting-Yun Shi, J BABB, James Mitroy

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    Abstract

    The long-range non-additive three-body dispersion interaction coefficients Z 111, Z 112, Z 113, and Z 122 are computed for many atomic combinations using standard expressions. The atoms considered include hydrogen, the rare gases, the alkali atoms (up to Rb), and the alkaline-earth atoms (up to Sr). The term Z 111 arising from three mutual dipole interactions is known as the Axilrod-Teller-Muto coefficient or the DDD (dipole-dipole-dipole) coefficient. Similarly, the terms Z 112, Z 113, and Z 122 arise from the mutual combinations of dipole (1), quadrupole (2), and octupole (3) interactions between atoms and they are sometimes known, respectively, as dipole-dipole-quadrupole, dipole-dipole-octupole, and dipole-quadrupole- quadrupole coefficients. Results for the four Z coefficients are given for the homonuclear trimers, for the trimers involving two like-rare-gas atoms, and for the trimers with all combinations of the H, He, and Li atoms. An exhaustive compilation of all coefficients between all possible atomic combinations is presented as supplementary data. � 2012 American Institute of Physics.
    Original languageEnglish
    Pages (from-to)104104-1-104104-8
    Number of pages8
    JournalJournal of Chemical Physics
    Volume136
    Issue number10
    Early online date9 Mar 2012
    DOIs
    Publication statusPublished - 14 Mar 2012

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