Programs in Physics & Physical Chemistry
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|Manuscript Title: Integrals involved in the perturbation theory of a hydrogen-like system. II.|
|Authors: J. Mlodzki|
|Program title: GREEN2|
|Catalogue identifier: ACDI_v1_0|
Distribution format: gz
|Journal reference: Comput. Phys. Commun. 34(1984)211|
|Programming language: Pascal.|
|Computer: CDC 6000.|
|Operating system: SCOPE 3.4.4.|
|RAM: 14K words|
|Word size: 60|
|Keywords: Atomic physics, Wave function, Perturbation theory, Coulomb green's reduced Function, Hydrogen-like system.|
Nature of problem:
Computation of the second order corrections to the energy of the nth bound state of a hydrogen-like system.
The second order corrections to the energy can be evaluated by use of the matrix elements of the lth partial waves of the nth reduced Coulomb Green's function Gl**n(r2,r1) between functions r2**k exp(-r2/n) and r1**m exp(-r1/n). When 1>= n the matrix elements are expressed by the infinite sums. Using special data structures and an algorithm of decomposition of a rational function into simple fractions the program evaluates the matrix elements in question.
The numbers n, l, k, m satisfy the following conditions:
n = 1,2..5, l = n..5, k,m = 0,1..8.
Compilation - 8 s Evaluation of matrix element - 50 ms
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