Atomic integral containing three odd powers of interelectronic separation coordinates
✍ Scribed by A.H. Moussa; H.M.A. Radi
- Publisher
- Elsevier Science
- Year
- 1973
- Tongue
- English
- Weight
- 327 KB
- Volume
- 6
- Category
- Article
- ISSN
- 0010-4655
No coin nor oath required. For personal study only.
✦ Synopsis
Nature of physical problem
The subroutine ATOMINT evaluates an atomic integral, Catalogue number: ACRO containing 3 odd powers of interelectronic separation coor-Program obtainable from: CPC Program Library, Queen's dinates, which appears in bound state variational calculations University of Belfast, N. Ireland (see application form in this of three electron atoms, and in phase shift variational calculaissue) tions of scattering of electrons (or positrons) by two-electron atoms. Computer: IBM 360/30 Installation: Planning Board, Kuwait Method of solution The integral is expanded as infinite sums of Legendre Operating system: SYSTEM/360 (DOS) polynomials, and these angular terms are reduced, by apply-Programming languages used: FORTRAN IV ing the coupling rules of spherical harmonics, to simple integrals which are easily integrated. The orthogonal properties High speed store required: 71,847 bytes keep one infinite sum only to do. The limits of the radial in-No. of bits in a byte: 8 tegrals are divided into six parts, and the resulting integrals are evaluated in closed forms in most cases and in a conver-Overlay structure: None gent sum in one case. On the average, five terms lead to a No. of magnetic tapes required: None reasonable accuracy. Other peripherals used: Card reader, printer Typical running time No. of cards in combined program and test deck: 458
The time depends on the input values, and on the number of terms in the infinite sum; the average time is between Card punching code: EBCDIC 5-10 mm approximately.