DISTRIBUTED APPROXIMATING FUNCTION-THEORY FOR AN ARBITRARY NUMBER OF PARTICLES IN A COORDINATE SYSTEM-INDEPENDENT FORMALISM

被引:19
|
作者
HOFFMAN, DK
KOURI, DJ
机构
[1] IOWA STATE UNIV SCI & TECHNOL,AMES LAB,AMES,IA 50011
[2] UNIV HOUSTON,DEPT CHEM,HOUSTON,TX 77204
[3] UNIV HOUSTON,DEPT PHYS,HOUSTON,TX 77204
来源
JOURNAL OF PHYSICAL CHEMISTRY | 1993年 / 97卷 / 19期
关键词
D O I
10.1021/j100121a021
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 general, multidimensional distributed approximating function theory is developed that applies to any system which has one possible configurational representation in Cartesian variables. That is, the configuration of the system can be expressed as a generalized N-dimensional vector which has the usual transformation properties under multidimensional rotations. In particular, the theory is applicable to a scattering system with an arbitrary number, A, of scattering centers and projectiles (atoms), for which N = 3A. The approach makes possible the realization of distributed approximating functions (DAFs) in any orthogonal, curvilinear coordinates including spherical polar, cylindrical polar, and hyperspherical, as well as elliptic and parabolic coordinates.
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页码:4984 / 4988
页数:5
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