TIME-DEPENDENT WAVE-PACKET DESCRIPTION OF DISSOCIATIVE ELECTRON-ATTACHMENT

被引:55
作者
GERTITSCHKE, PL
DOMCKE, W
机构
[1] Institute of Physical and Theoretical Chemistry, Technical University of Munich
来源
PHYSICAL REVIEW A | 1993年 / 47卷 / 02期
关键词
D O I
10.1103/PhysRevA.47.1031
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
A time-dependent description of the dissociative-attachment process is formulated within the frame-work of the projection-operator formalism of scattering theory. A generally applicable computational scheme for the solution of the resulting integro-differential equation of motion is developed. The concepts and computational techniques are illustrated for a model of a d-wave shape resonance as well as for the p-wave 2SIGMA(u)+ shape resonance in electron-H-2 Collisions. It is shown that the time-dependent wave-packet picture yields qualitative insight into the dynamics of the dissociative-attachment reaction. The origin of the complete failure of the local-complex-potential approximation for the 2SIGMA(u)+ resonance in e + H-2 becomes apparent in the time-dependent picture.
引用
收藏
页码:1031 / 1044
页数:14
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