THE APPLICATION OF NEGATIVE IMAGINARY ARRANGEMENT DECOUPLING POTENTIALS TO REACTIVE SCATTERING - CONVERSION OF A REACTIVE SCATTERING PROBLEM INTO A BOUND-TYPE PROBLEM

被引:42
作者
LAST, I [1 ]
NEUHAUSER, D [1 ]
BAER, M [1 ]
机构
[1] PRINCETON UNIV,DEPT CHEM,PRINCETON,NJ 08544
关键词
D O I
10.1063/1.462104
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 time-independent treatment of a reactive system employing negative imaginary decoupling potentials. We discuss two aspects: (a) we show how with the help of these potentials a reactive scattering problem is converted into a bound-type problem, and (b) we show that a reactive treatment can be carried out entirely in the products arrangement channel without the use of the reagents arrangement channel. By doing that we are able to obtain exact reactive state-to-state S matrix elements or transition probabilities.
引用
收藏
页码:2017 / 2024
页数:8
相关论文
共 51 条
[41]  
WALKER RB, 1978, J CHEM PHYS, V69, P1922
[42]   ATOM-DIATOM REACTIVE SCATTERING .2. H+H-2 AND ITS ISOTOPOMERS, J=O [J].
WEBSTER, F ;
LIGHT, JC .
JOURNAL OF CHEMICAL PHYSICS, 1989, 90 (01) :300-321
[43]   ATOM-DIATOM REACTIVE SCATTERING .1. QUANTUM-THEORY [J].
WEBSTER, F ;
LIGHT, JC .
JOURNAL OF CHEMICAL PHYSICS, 1989, 90 (01) :265-299
[44]  
WEBSTER F, 1986, J CHEM PHYS, V85, P477
[45]   QUANTUM REACTIVE SCATTERING VIA THE S-MATRIX VERSION OF THE KOHN VARIATIONAL PRINCIPLE - INTEGRAL CROSS-SECTIONS FOR H+H2(V1=J1=0)-]H2(V2=1,J2=1,3)+H IN THE ENERGY-RANGE ETOTAL=0.9-1.4 EV [J].
ZHANG, JZH ;
MILLER, WH .
CHEMICAL PHYSICS LETTERS, 1988, 153 (06) :465-470
[46]   ACCURATE 3-DIMENSIONAL QUANTUM SCATTERING CALCULATIONS FOR F+H2-]HF+H [J].
ZHANG, JZH ;
MILLER, WH .
JOURNAL OF CHEMICAL PHYSICS, 1988, 88 (07) :4549-4550
[47]   NEW METHOD FOR QUANTUM REACTIVE SCATTERING, WITH APPLICATIONS TO THE 3-D H+H2 REACTION [J].
ZHANG, JZH ;
MILLER, WH .
CHEMICAL PHYSICS LETTERS, 1987, 140 (04) :329-337
[48]   L2 AMPLITUDE DENSITY METHOD FOR MULTICHANNEL INELASTIC AND REARRANGEMENT COLLISIONS [J].
ZHANG, JZH ;
KOURI, DJ ;
HAUG, K ;
SCHWENKE, DW ;
SHIMA, Y ;
TRUHLAR, DG .
JOURNAL OF CHEMICAL PHYSICS, 1988, 88 (04) :2492-2512
[49]  
ZHANG JZH, 1989, CHEM PHYS LETT, V159, P124
[50]  
ZHANG JZH, 1989, J CHEM PHYS, V89, P4454