Theoretical study of nonlinear triatomic molecular potential energy surfaces: Lie algebraic method

被引：4
|
作者：
Zheng, YJ [1 ]
Ding, SL [1 ]
机构：
[1] Shandong Univ, Inst Theoret Chem, Jinan 250100, Peoples R China
来源：
SCIENCE IN CHINA SERIES B-CHEMISTRY | 2000年 / 43卷 / 03期
基金：
中国国家自然科学基金;
关键词：
triatomic molecule; potential energy surface; highly excited vibrational states; Lie algebra;
D O I：
10.1007/BF02969518
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
Triatomic molecular potential energy surfaces (PES) are obtained by using coherent state to take the classical limits of algebraic Hamiltonian. The algebraic Hamiltonian for bent triatomic molecules can be obtained using Lie algebraic method (the expansion coefficients are obtained by fitting spectroscopic data). This PES is applied to H2O molecule, and good results are obtained.
引用
收藏
页码：247 / 252
页数：6
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