计算物理 ›› 1999, Vol. 16 ›› Issue (4): 346-350.
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陈向荣, 程艳, 清泉, 庞小峰
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Chen Xiangrong, Cheng Yan, Gou Qingquan, Pang Xiaofeng
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摘要： 利用非线性量子理论中的一个简单的三参数动力学模型即量子化的离散自陷方程,对CH4分子在高激发态下(1 ≤ n ≤ 7)的伸缩振动能谱进行计算,并将所得结果与实验值进行比较。本模型适合于描述多原子分子的高激发振动态.
关键词: CH4, 振动能谱, 非线性量子理论
Abstract: A simple three-parameter dynamical model in nonlinear quantum theory-the quant ized discrete self trapping equation is used to calculate the highly excited vi brational spectrum of CH stretches of CH4 molecule with up to total quantum number n=7. The results show the model calculations appear to describe the expe rimental data well.
Key words: CH4, vibrational energy spectrum, nonlinear quantum theory
中图分类号:
O561.3
陈向荣, 程艳, 清泉, 庞小峰. 利用非线性量子理论计算CH4分子的泛频和组频能谱[J]. 计算物理, 1999, 16(4): 346-350.
Chen Xiangrong, Cheng Yan, Gou Qingquan, Pang Xiaofeng. Calculations of overtones and com binations of ch 4 molecule using nonlinear quantum theory[J]. CHINESE JOURNAL OF COMPUTATIONAL PHYSICS, 1999, 16(4): 346-350.
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