Theoretical study of highly vibrational states of nonlinear triatomic molecules using Lie algebraic approach
The vibrational excitations of bent triatomic molecules are studied by using Lie algebra. The RMS error of fitting 30 spectroscopic data is 1.66 cm-1 for SO2. The results show that the expansion of a molecular algebraic Hamiltonian can well describe the experimental data. And the total vibrational levels can be calculated using this Hamiltonian. At the same time, the potential energy surface can also be obtained with the algebraic Hamiltonian.
作 者： ZHENG Yujun DING Shiliang 作者单位： Institute of Theoretical Chemistry, Shandong University, Jinan 250100, China 刊 名： 中国科学B辑（英文版） EI SCI 英文刊名： SCIENCE IN CHINA(SERIES B) 年，卷(期)： 2000 43(1) 分类号： O6 关键词： SO2 highly excited vibrational states Lie algebra