STEREODIRECTED STATES IN MOLECULAR-DYNAMICS - A DISCRETE BASIS REPRESENTATION FOR THE QUANTUM-MECHANICAL SCATTERING MATRIX

被引：43

作者：

AQUILANTI, V

CAVALLI, S

GROSSI, G

ANDERSON, RW

机构：

[1] UNIV CALIF SANTA CRUZ,DEPT CHEM,SANTA CRUZ,CA 95064

[2] UNIV PERUGIA,DIPARTMENTO CHIM,I-06100 PERUGIA,ITALY

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1991年 / 95卷 / 21期

关键词：

D O I：

10.1021/j100174a032

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 recently developed discrete basis for the quantum mechanics of anisotropic interactions is shown to provide a representation for stereodirected states in molecular dynamics. The representation is labeled with a steric quantum number and an angular momentum projection on a Jacobi coordinate vector. Exact calculations for a standard model for rotational energy transfer are presented and discussed.

引用

收藏

页码：8184 / 8193

页数：10

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