Title ofprogram: GREEN are involved in evaluating corrections to the wave function in first order perturbation theory. The formulae for these integrals Catalogue number: ACDH can be expressed in terms of polynomials multiplied by an exponential, an exponential integral and a logarithm [5]. The Progr
Integrals involved in the perturbation theory of a hydrogen-like system. II
✍ Scribed by J. MŁodzki
- Publisher
- Elsevier Science
- Year
- 1984
- Tongue
- English
- Weight
- 298 KB
- Volume
- 34
- Category
- Article
- ISSN
- 0010-4655
No coin nor oath required. For personal study only.
✦ Synopsis
Method of solution
The second order corrections to the energy can be evaluated by Title of program: GREEN2 use of the matrix elements of the lth partial waves of the nth reduced Coulomb Green's function G7( r 2, r1) [2) between Catalogue number: ACDI functions r~' exp(-r2/n) and rr exl,( -r1/n) [4,5]. When I ~n the matrix elements are expressed by the infinite sums [3]. Program obtainable from: CPC Program Library, Queen's Uni-Using special data structures and an algorithm of decomposiversity of Belfast, N. Ireland (see application form in this issue) tion of a rational function into simple fractions the program evaluates the matrix elements in question.
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