DIMENSIONAL SCALING AND THE QUANTUM-MECHANICAL MANY-BODY PROBLEM

被引:35
作者
AVERY, J [1 ]
GOODSON, DZ [1 ]
HERSCHBACH, DR [1 ]
机构
[1] UNIV COPENHAGEN,HC ORSTED INST,DK-2100 COPENHAGEN,DENMARK
来源
THEORETICA CHIMICA ACTA | 1991年 / 81卷 / 1-2期
关键词
DIMENSIONAL SCALING; QUANTUM THEORY; SCHRODINGER EQUATION; MANY-BODY PROBLEM;
D O I
10.1007/BF01113374
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 growing repertoire of electronic structure methods employ the spatial dimension D as an interpolation or scaling parameter. It is advantageous to transform the Schrodinger equation to remove all dependence on D from the Jacobian volume element and the Laplacian operator; this introduces a centrifugal term, quadratic in D, that augments the effective potential. Here we explicitly formulate this procedure for S states of an arbitrary many-particle system, in two variants. One version reduces the Laplacian to a quasicartesian form, and is particularly suited to evaluating the exactly solvable D --> infinity limit and perturbation expansions about this limit. The other version casts the Jacobian and Laplacian into the familiar forms for D = 3, and is particularly suited to calculations employing conventional Rayleigh-Ritz variational methods.
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页码:1 / 20
页数:20
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