QUANTUM-MECHANICAL DYNAMICS AND QUASI-CLASSICAL TRAJECTORIES FOR COMPARISON TO STIMULATED RAMAN PUMPING MEASUREMENTS OF THE HIGH-ENERGY STATE-TO-STATE REACTION DYNAMICS OF D+H2(V=J=1)-]HD(V'=1,J')+H

被引：52
作者：
BLAIS, NC
ZHAO, MS
TRUHLAR, DG
SCHWENKE, DW
KOURI, DJ
机构：
[1] UNIV MINNESOTA, DEPT CHEM, CHEM PHYS PROGRAM, MINNEAPOLIS, MN 55455 USA
[2] UNIV MINNESOTA, INST SUPERCOMP, MINNEAPOLIS, MN 55455 USA
[3] NASA, AMES RES CTR, MOFFETT FIELD, CA 94035 USA
[4] UNIV HOUSTON, DEPT CHEM, HOUSTON, TX 77204 USA
[5] UNIV HOUSTON, DEPT PHYS, HOUSTON, TX 77004 USA
来源：
CHEMICAL PHYSICS LETTERS | 1990年 / 166卷 / 01期
基金：
美国国家科学基金会;
关键词：
D O I：
10.1016/0009-2614(90)87042-P
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 + H2 (ν = 1, j = 1) → HD (ν′ = 1, j′ = 0-13) + H are calculated at the (very high) total energy 1.8 eV both by quasiclassical trajectories and by a well-converged quantum dynamical variational calculation on the most accurate available potential energy surface. Results are compared to the recent experiment of Kliner and Zare. © 1990.
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页码：11 / 19
页数：9
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