3-DIMENSIONAL REACTIVE QUANTUM-MECHANICAL STUDY FOR THE H+X2(X=H,D,T) SYSTEMS - APPLICATION OF NEGATIVE IMAGINARY ARRANGEMENT DECOUPLING POTENTIALS

被引：43

作者：

LAST, I ^{[1
]}

BARAM, A ^{[1
]}

SZICHMAN, H ^{[1
]}

BAER, M ^{[1
]}

机构：

[1] SOREQ NRC,DEPT PHYS & APPL MATH,IL-70600 YAVNE,ISRAEL

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1993年 / 97卷 / 27期

关键词：

D O I：

10.1021/j100129a019

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：

In this work is presented a three-dimensional quantum mechanical study of three hydrogenic reactions, namely, H + X2 --> HX + X (X = H, D, T) employing a newly developed approach based on negative imaginary arrangement decoupling potentials. Reactive vibrational-state selected cross sections are obtained from the accurate calculated J = O probabilities by employing a J shifting procedure. The studied (total) energy interval is from threshold to 1.3 eV. Detailed comparisons with previous available quantum mechanical results and with quasi-classical trajectory results are presented.

引用

页码：7040 / 7047

页数：8

共 61 条

[1] ARRANGEMENT CHANNEL APPROACH TO REACTIVE SYSTEMS - ACCURATE 3-DIMENSIONAL PROBABILITIES FOR THE H+H2 SYSTEM [J].