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

作     者：郑雨军 丁世良 

作者机构：Institute of Theoretical Chemistry Shandong University Jinan 250100 China 

出 版 物：《Science China Chemistry》 (中国科学（化学英文版）)

年 卷 期：2000年第43卷第3期

页      面：247-252页

核心收录：

学科分类：07[理学] 070201[理学-理论物理] 0702[理学-物理学] 

基　　金：Y99B04 9801 National Natural Science Foundation of China,NSFC: 29773027 

主　　题：triatomic molecule potential energy surface highly excited vibrational states Lie algebra. 

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 tria-tomic 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.