HIGH-ENERGY STATE-TO-STATE QUANTUM DYNAMICS FOR D+H2(UPSILON = J = 1)-]HD(UPSILON' = 1, J') + H

被引：43

作者：

MIELKE, SL

FRIEDMAN, RS

TRUHLAR, DG

SCHWENKE, DW

机构：

[1] UNIV MINNESOTA, INST SUPERCOMP, MINNEAPOLIS, MN 55455 USA

[2] NASA, AMES RES CTR, MOFFETT FIELD, CA 94035 USA

来源：

CHEMICAL PHYSICS LETTERS | 1992年 / 188卷 / 3-4期

基金：

美国国家科学基金会;

关键词：

D O I：

10.1016/0009-2614(92)90037-N

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 state-to-state cross sections for D + H-2 (upsilon = j = 1) --> HD(upsilon' --> 1, j' = 0-13) + H at total energy 1.8164 eV have been calculated by accurate quantum dynamics, using larger basis sets and more stringent convergence criteria than in previous work. The cross sections differ from previous calculations by up to 10%, but they still differ from recent experiments by Kliner, Adelman and Zare by significantly more than the experimental error bars.

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收藏

页码：359 / 367

页数：9

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