A NEW ACCURATE (TIME-INDEPENDENT) METHOD FOR TREATING 3-DIMENSIONAL REACTIVE COLLISIONS - THE APPLICATION OF OPTICAL POTENTIALS AND PROJECTION OPERATORS

被引:92
作者
NEUHAUSER, D [1 ]
BAER, M [1 ]
机构
[1] SOREQ NUCL RES CTR,DEPT THEORET PHYS & APPL MATH,IL-70600 YAVNE,ISRAEL
关键词
D O I
10.1063/1.457853
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
This work describes a new (time-independent) approach to the study of atom-diatom reactive collisions in three dimensions. The method is based on the idea of converting a reactive multiarrangement problem into an inelastic single-arrangement problem. This conversion is done by applying optical potentials which are located at all exits of the reagents arrangement. The reactive transition probabilities are calculated applying flux formulas. The method is reminiscent of a previous time-dependent method successfully applied for both collinear and three-dimensional reactive collisions. © 1990 American Institute of Physics.
引用
收藏
页码:3419 / 3426
页数:8
相关论文
共 54 条
[1]   FINITE-ELEMENT METHODS FOR REACTIVE SCATTERING [J].
ASKAR, A ;
CAKMAK, AS ;
RABITZ, HA .
CHEMICAL PHYSICS, 1978, 33 (02) :267-286
[2]   INTEGRAL-EQUATION APPROACH TO ATOM DIATOM EXCHANGE PROCESSES [J].
BAER, M .
PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS, 1989, 178 (03) :99-143
[3]   ARRANGEMENT-CHANNEL APPROACH TO REACTIVE SYSTEMS - A NEW COUPLING SCHEME [J].
BAER, M ;
SHIMA, Y .
PHYSICAL REVIEW A, 1987, 35 (12) :5252-5254
[6]  
BAER M, IN PRESS FARADAY T
[7]  
BLAIS NC, 1989, J CHEM PHYS, V91, P1528
[8]  
DISTLER DJ, 1968, J CHEM PHYS, V48, P2951
[9]   MULTILEVEL ADAPTIVE TECHNIQUE FOR QUANTUM REACTIVE SCATTERING [J].
DUNECZKY, C ;
WYATT, RE .
JOURNAL OF CHEMICAL PHYSICS, 1987, 87 (08) :4519-4531
[10]  
HOUSEHOLDER AS, 1953, PRINCIPLES NUMERICAL, P47