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
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.
引用
收藏
页码:4984 / 4988
页数:5
相关论文
共 21 条
[1]   IMPROVED EXPONENTIAL SPLIT OPERATOR METHOD FOR SOLVING THE TIME-DEPENDENT SCHRODINGER-EQUATION [J].
BANDRAUK, AD ;
SHEN, H .
CHEMICAL PHYSICS LETTERS, 1991, 176 (05) :428-432
[2]  
DEVRIES P, 1988, NATO ASI SER B-PHYS, V171, P113
[3]  
FEIT MD, 1983, J CHEM PHYS, V79, P301
[4]  
FEIT MD, 1984, J CHEM PHYS, V80, P257
[5]   PROPERTIES OF THE OPTIMUM DISTRIBUTED APPROXIMATING FUNCTION CLASS PROPAGATOR FOR DISCRETIZED AND CONTINUOUS WAVE PACKET PROPAGATIONS [J].
HOFFMAN, DK ;
ARNOLD, M ;
KOURI, DJ .
JOURNAL OF PHYSICAL CHEMISTRY, 1992, 96 (16) :6539-6545
[6]   DISTRIBUTED APPROXIMATING FUNCTION-THEORY - A GENERAL, FULLY QUANTAL APPROACH TO WAVE-PROPAGATION [J].
HOFFMAN, DK ;
KOURI, DJ .
JOURNAL OF PHYSICAL CHEMISTRY, 1992, 96 (03) :1179-1184
[7]   ANALYTIC BANDED APPROXIMATION FOR THE DISCRETIZED FREE PROPAGATOR [J].
HOFFMAN, DK ;
NAYAR, N ;
SHARAFEDDIN, OA ;
KOURI, DJ .
JOURNAL OF PHYSICAL CHEMISTRY, 1991, 95 (21) :8299-8305
[8]   TRAVELING DISTRIBUTED APPROXIMATING FUNCTION-APPROACH TO WAVE PACKET PROPAGATION - EXPLICIT INCLUSION OF A LOCAL WAVE VELOCITY [J].
HOFFMAN, DK ;
ARNOLD, M ;
KOURI, DJ .
JOURNAL OF PHYSICAL CHEMISTRY, 1993, 97 (06) :1110-1118
[9]  
HOFFMAN DU, IN PRESS J CHEM PHYS
[10]  
HUANG Y, IN PRESS COMPUT PHYS