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
相关论文
共 67 条
[1]  
Abramowitz M., 1965, HDB MATH FUNCTIONS
[2]  
ACHILLES D, 1985, FOURIER TRANSFORMATI
[4]   NONLOCAL EFFECTS IN DISSOCIATIVE ELECTRON-ATTACHMENT TO H-2 [J].
ATEMS, DE ;
WADEHRA, JM .
PHYSICAL REVIEW A, 1990, 42 (09) :5201-5207
[5]   TIME-DEPENDENT QUANTUM DYNAMICS OF MOLECULAR PHOTOFRAGMENTATION PROCESSES [J].
BALINTKURTI, GG ;
DIXON, RN ;
MARSTON, CC .
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 1990, 86 (10) :1741-1749
[6]   VIBRATIONAL EXCITATION AND DISSOCIATIVE ATTACHMENT IN SCATTERING OF ELECTRONS BY HYDROGEN MOLECULES [J].
BARDSLEY, JN ;
HERZENBERG, A ;
MANDL, F .
PROCEEDINGS OF THE PHYSICAL SOCIETY OF LONDON, 1966, 89 (564P) :321-+
[7]   DISSOCIATIVE ATTACHMENT AND VIBRATIONAL-EXCITATION IN LOW-ENERGY COLLISIONS OF ELECTRONS WITH H-2 AND D2 [J].
BARDSLEY, JN ;
WADEHRA, JM .
PHYSICAL REVIEW A, 1979, 20 (04) :1398-1405
[8]   CONFIGURATION INTERACTION IN CONTINUUM STATES OF MOLECULES [J].
BARDSLEY, JN .
JOURNAL OF PHYSICS PART B ATOMIC AND MOLECULAR PHYSICS, 1968, 1 (03) :349-&
[9]  
BARDSLEY JN, 1979, ELECTRON MOL PHOTON, P267
[10]   PROJECTION OPERATOR CALCULATIONS FOR MOLECULAR SHAPE RESONANCES - THE 2-SIGMA-U+ RESONANCE IN ELECTRON-HYDROGEN SCATTERING [J].
BERMAN, M ;
MUNDEL, C ;
DOMCKE, W .
PHYSICAL REVIEW A, 1985, 31 (02) :641-651