First quantum investigation of the photodissociation of the Ar-HBr complex: three-dimensional time-dependent approach

被引：28

作者：

Monnerville, M ^{[1
]}

Pouilly, B ^{[1
]}

机构：

[1] Univ Sci & Tech Lille Flandres Artois, Ctr Etud & Rech Lasers & Applicat, Lab Phys Lasers Atomes & Mol, UMR CNRS, F-59655 Villeneuve Dascq, France

来源：

CHEMICAL PHYSICS LETTERS | 1998年 / 294卷 / 06期

关键词：

D O I：

10.1016/S0009-2614(98)00891-4

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 ultraviolet photodissociation of the Ar-HBr van der Waals complex is investigated using an exact three-dimensional time-dependent wave packet approach with zero-total angular momentum. Due to the large size of the required grid, calculations were carried out up to 60 fs. This time was sufficient for calculating the absorption spectrum as well as the final kinetic energy distribution of the H atom. Both were found to be completely structureless. Thus, the dynamics is entirely dominated by the fast direct dissociation of the hydrogen atom producing hot H fragments and bound Ar-Br molecules. (C) 1998 Elsevier Science B.V. All rights reserved.

引用

页码：473 / 479

页数：7