Effect of spin-orbit corrections on the F+D2→DF+D reaction

被引：31

作者：

Honvault, P ^{[1
]}

Launay, JM ^{[1
]}

机构：

[1] Univ Rennes 1, CNRS, PALMS, UMR 6627, F-35042 Rennes, France

来源：

CHEMICAL PHYSICS LETTERS | 1999年 / 303卷 / 5-6期

关键词：

D O I：

10.1016/S0009-2614(99)00219-5

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：

Accurate three-dimensional quantum-mechanical calculations have been carried out at 90 and 240 meV collision energies using the new ab initio adiabatic potential energy surface of Hartke, Stark and Werner, which includes spin-orbit corrections added to the entrance arrangement of the ground-state potential energy surface. A collision energy threshold, which was absent when using the former potential energy surface without spin-orbit corrections, appears near 15 meV in calculations performed on the new potential energy surface. These corrections do not improve the agreement between theoretical and experimental results. (C) 1999 Elsevier Science B.V. All rights reserved.

引用

页码：657 / 663

页数：7

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