TIME-DEPENDENT CALCULATIONS OF MOLECULAR PHOTODISSOCIATION RESONANCES

被引：35

作者：

KULANDER, KC ^{[1
]}

CERJAN, C ^{[1
]}

OREL, AE ^{[1
]}

机构：

[1] UNIV CALIF DAVIS,DEPT APPL SCI,DAVIS,CA 95616

来源：

JOURNAL OF CHEMICAL PHYSICS | 1991年 / 94卷 / 04期

关键词：

D O I：

10.1063/1.459833

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The molecular photodissociation dynamics of a model, collinear CO2 system is investigated using the time-dependent wave packet method. Resonance structures in the absorption line shape, found previously in time-independent studies, are correlated to particular oscillatory motions in the dissociating wave packet dynamics. Dramatic changes in the absorption line shape are predicted for this system for short pulse excitation due to the removal of the effects of one class of resonances. Three different methods of solving the time-dependent Schrodinger equation were tested and the optimal scheme was used in these calculations.

引用

页码：2571 / 2577

页数：7

共 21 条

[1] PHOTO-DISSOCIATION AND REACTIVE SCATTERING RESONANCES [J].