On the geometric phase effect on tetra-atomic reactions:: the OH+H2→H2O+H reaction

被引：5
|
作者：
Billing, GD [1 ]
Kuppermann, A
机构：
[1] Univ Copenhagen, HC Orsted Inst, Dept Chem, DK-2200 Copenhagen O, Denmark
[2] CALTECH, Arthur Amos Noyes Lab Chem Phys, Pasadena, CA 91125 USA
来源：
CHEMICAL PHYSICS LETTERS | 1998年 / 294卷 / 1-3期
基金：
美国国家科学基金会;
关键词：
D O I：
10.1016/S0009-2614(98)00841-0
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 geometric phase effect on chemical reactions is investigated for a tetra-atomic reaction using classical mechanics and recently developed row-orthonormal hyperspherical coordinates. The quantum vector potential responsible for the proper handling of the phase of the nuclear wavefunction is incorporated in the classical trajectory equations. This provides a simple estimate of the importance of the geometric phase for reaction cross-sections. (C) 1998 Elsevier Science B.V. All rights reserved.
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页码：26 / 30
页数：5
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