Vibrational predissociation rates and final state distributions for He-ICI and He-I2 using a computationally simple method

被引:9
|
作者
Seong, J
Sun, H
Ratner, MA
Schatz, GC
Gerber, RB
机构
[1] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA
[2] Korea Adv Inst Sci & Technol, Ctr Mol Sci, Taejon 305701, South Korea
[3] Univ Calif Irvine, Dept Chem, Irvine, CA 92697 USA
[4] Hebrew Univ Jerusalem, Fritz Haber Inst Mol Dynam, Jerusalem, Israel
[5] Sungkyunkwan Univ, Dept Chem, Suwon 440746, South Korea
来源
JOURNAL OF PHYSICAL CHEMISTRY A | 1998年 / 102卷 / 47期
关键词
D O I
10.1021/jp9812132
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 vibrational predissociation rates of triatomic van der Waals complexes were investigated by a new, computationally simple method. The method is based on three approximations: (a) metastable vibrationally excited states of the complex are described by the vibrational self-consistent field (VSCF) approximation, (b) the coupling among the rotational states of the dissociating diatomic fragment is treated by the infinite order sudden (IOS) approximation, and (c) the vibrational transition that leads to dissociation is treated by the distorted wave Born approximation (DWBA). The predissociation rates, the product rotational state distributions, and the lifetimes of vibrationally excited states of He-ICl and He-I-2 are all computed and are in reasonable agreement with other theoretical and/or experimental results. The suggested VSCF-DWBA-IOS scheme is found to be a very simple but efficient theoretical tool to investigate the dissociation dynamics of van der Waals complexes.
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页码:9345 / 9352
页数:8
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