A quantum scattering study of the collinear state-to-state reaction probabilities for the F+H2(0)→HF(υ′)+H system on a new potential energy surface

被引：7

作者：

Ma, WY ^{[1
]}

Cai, ZT ^{[1
]}

Deng, CH ^{[1
]}

机构：

[1] Shandong Univ, Inst Theoret Chem, Jinan 250100, Peoples R China

来源：

CHEMICAL PHYSICS LETTERS | 1999年 / 304卷 / 1-2期

基金：

中国国家自然科学基金;

关键词：

D O I：

10.1016/S0009-2614(99)00274-2

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 quantum scattering approach, linear combination of arrangement channels-scattering wavefunction (LCAC-SW) proposed by Deng and co-workers [Sci. China B 24 (1994) 463] is used to calculate the collinear state-to-state reaction probabilities for the F + H-2(0) --> HF(upsilon') + H system on the 6SEC potential energy surface (PES). The calculated results reflect the character of PES accurately (there is a 'shallow hollow' along the reaction coordinate on the 6SEC potential energy surface). They are compared with other theoretical research reported in the literature. It is shown that the LCAC-SW approach is one of the successful quantum scattering methods. (C) 1999 Elsevier Science B.V. All rights reserved.

引用

页码：121 / 125

页数：5

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