DISCRETE ANALOGS OF SPHERICAL-HARMONICS AND THEIR USE IN QUANTUM-MECHANICS - THE HYPERQUANTIZATION ALGORITHM

被引:29
作者
AQUILANTI, V
CAVALLI, S
GROSSI, G
机构
[1] Dipartimento di Chimica dell'Università, Perugia
来源
THEORETICA CHIMICA ACTA | 1991年 / 79卷 / 3-4期
关键词
SPHERICAL HARMONICS; DISCRETE POLYNOMIALS; INELASTIC AND REACTIVE SCATTERING;
D O I
10.1007/BF01113697
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
An algorithm for the solution of the Schrodinger equation in a discrete basis is illustrated with reference to the problem of quantization on spheres of any dimension (hyperquantization). It exploits the explicit construction of discrete analogs of spherical harmonics and leads to sparse matrix representations of the kinetic energy operator and a diagonal representation of the interaction potential. Applications are discussed for inelastic and reactive scattering.
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页码:283 / 296
页数:14
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