A nonlinear model for highly excited vibrational energy levels of silane

Chen Xiang-rong, Cheng Yan, L. Jun, Gou Qing-Quan, P. Xiao-feng
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引用次数: 2

Abstract

The highly excited vibrational energy levels of SiH stretches of silane SiH4 in the electronic ground state are calculated using a three-parameter nonlinear model, i.e., the quantized discrete self-trapping equation. The obtained results are in good agreements with the experimental data and with those obtained from local mode calculations of others. We note that SiH4 molecule is a typical molecule close to the local mode limit, and that when n ≥ 3, the molecule could be thought of as vibrating with the four SiH stretching quanta trapped into a single SiH bond.
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硅烷高激发振动能级的非线性模型
利用三参数非线性模型,即量子化离散自俘获方程,计算了硅烷SiH4在电子基态下的高激发振动能级。所得结果与实验数据及其它局部模态计算结果吻合较好。我们注意到SiH4分子是一个典型的接近局域模式极限的分子,当n≥3时,分子可以被认为是与四个SiH拉伸量子一起振动,这些量子被困在单个SiH键中。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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