摘要
采用准经典轨迹法，考察了Ｈ２Ｏ及Ｈ２Ｓ分子简正模激发态下分子内各态能量随时间变化的分布关系，讨论了激发能在各态间的转移规律．研究表明：简正模激发态能量转移倾向于频率彼此相近或对称性相同的态间．
Qausiclassical trajectories QCT have been used to investigate energy transfer of various excited H X(X=O,S) stretching and H X H bending normal modes in H 2O and H 2S, respectively. Average energy in each normal mode as a function of time is obtained. The results demonstrate that only those modes with frequencies close to or with the same vibrational symmetry as that of the excited mode participate in the energy transfer.
出处
《高等学校化学学报》
SCIE
EI
CAS
CSCD
北大核心
1998年第6期950-954,共5页
Chemical Journal of Chinese Universities
基金
国家自然科学基金
关键词
简正模
局域模
能量转移
硫化氢
水
激发态
Normal mode, Local mode, Energy transfer, QCT method, Hessian matrix
