Elsevier Science Home
Computer Physics Communications Program Library
Full text online from Science Direct
Programs in Physics & Physical Chemistry
CPC Home

[Licence| Download | New Version Template] adqe_v1_0.gz(12 Kbytes)
Manuscript Title: Radial integrals in the Coulomb-Born approximation: multipole transitions.
Authors: A. Ohsaki, A. Igarashi, T. Kai, S. Nakazaki
Program title: CRIMPT2W
Catalogue identifier: ADQE_v1_0
Distribution format: gz
Journal reference: Comput. Phys. Commun. 147(2002)826
Programming language: Fortran.
Computer: Sony PCV-L450G, Unix workstation.
Operating system: Windows, Unix.
Word size: 32
Keywords: Coulomb Born approximation, Multipole transition, Radial matrix element, Analytic expression, Appell function, Complex gamma function, Atomic physics, Wave function.
Classification: 2.7.

Nature of problem:
This program calculates radial integrals in the Coulomb-Born approximation with respect to the electron impact excitations of positive ions. The integral is defined as an integral of the multipolar interaction over the initial and final Coulomb scattering functions.

Solution method:
The radial integrals for the multipole are evaluated in terms of analytic Appell functions.

Restrictions:
This program calculates the Coulomb radial integrals using the analytic continuation formula with respect to Appell function F2(alpha, beta, beta', gamma, gamma'; x, y) especially for |x|, |y| > 1.

Running time:
This program is tested on our personal computer, Sony PCV-L450G (Celeron 600MHz), using the Fujitsu FORTRAN 95 compiler. The total running time of test run was 0.06 seconds. The running time will depend on parameters: angular momenta lambda, Li, Lf, wave numbers ki, kf, Sommerfeld parameters etaI, etaf, and screening parameter q.