Reactant-product decoupling for state-to-state reactive scattering: Further partitioning in the product arrangements

被引:30
作者
Kouri, DJ
Hoffman, DK
Peng, T
Zhang, JHZ
机构
[1] UNIV HOUSTON,DEPT PHYS,HOUSTON,TX 77204
[2] IOWA STATE UNIV SCI & TECHNOL,DEPT CHEM,AMES,IA 50011
[3] IOWA STATE UNIV SCI & TECHNOL,AMES LAB,AMES,IA 50011
[4] NYU,DEPT CHEM,NEW YORK,NY 10003
关键词
D O I
10.1016/S0009-2614(96)01114-1
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
Recently, Peng and Zhang have derived a new time-dependent wavepacket ''divide and conquer'' formalism for decoupling the reactant and product pieces of the wavepacket. The approach makes it possible to treat the initial and product arrangement dynamics separately while still permitting the determination of quantitatively accurate S-matrix elements. In this paper we show how this procedure can be employed (using suitably defined partitioning potentials) to separate various types of inelastic scattering within any (or all) of the arrangements, both in reactions and photodissociation.
引用
收藏
页码:519 / 525
页数:7
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