A new singlet ab initio potential energy surface for studying vibrational relaxation in O2(ν)+O2 collisions

被引：13
|
作者：
Hernández-Lamoneda, R
Hernández, MI
Campos-Martínez, J
机构：
[1] CSIC, Inst Matemat & Fis Fundamental, Madrid 28006, Spain
[2] Univ Autonoma Estado Morelos, Ctr Invest Quim, Cuernavaca 62210, Morelos, Mexico
来源：
CHEMICAL PHYSICS LETTERS | 2003年 / 368卷 / 5-6期
关键词：
D O I：
10.1016/S0009-2614(02)01947-4
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：
A new ab initio potential energy surface for the ground singlet state of the O-2 + O-2 system has been calculated. Good agreement with experiment is obtained for the van der Waals binding energy. The vibrational dependence of the potential, crucial for vibrational energy transfer studies, is analyzed and compared with other potential energy surfaces by performing quantum scattering calculations of the vibrational relaxation of O-2(v). (C) 2002 Elsevier Science B.V. All rights reserved.
引用
收藏
页码：709 / 716
页数：8
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