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中国物理学会期刊
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Na3的电子结构与构形

物理学报, 1997, 46(5): 870-877.
DOI: 10.7498/aps.46.870
CSTR: 32037.14.aps.46.870

ELECTRONIC STRUCTRUE AND GEOMETRY OF Na3

Acta Phys. Sin., 1997, 46(5): 870-877.
DOI: 10.7498/aps.46.870
CSTR: 32037.14.aps.46.870
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  • 摘要

    应用离散变分方法，计算了Na3的基态势能面，并由此得到平衡构形参数、振动频率、Jahn-Teler稳定能、Jahn-Teler局域能等，所得结果与实验符合得较好

     

    Abstract

    In this paper,the ground state potential surface of Na3 is calculated by employing the discrete variational method.The calculated ground state equilibriun geometry,vibrational frequencies,Jahn-Teller stability energy and Jahn-Teller localization energy are in good agreement with the experimental data.

     

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