Programs in Physics & Physical Chemistry
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|Manuscript Title: A package for the ab-initio calculation of one- and two-photon cross sections of two-electron atoms, using a CI B-splines method.|
|Authors: L.A.A. Nikolopoulos|
|Program title: BSPCI2E|
|Catalogue identifier: ADQV_v1_0|
Distribution format: tar.gz
|Journal reference: Comput. Phys. Commun. 150(2003)140|
|Programming language: Fortran, C++.|
|Computer: IBM, SUN, PC.|
|Keywords: Multiphoton ionization, Two-electron atoms, LOPT, Configuration interaction, B-splines, Atomic physics, Scattering, Photon.|
Nature of problem:
Ab-initio calculation of one- and two-photon ionization cross sections for two-electron atoms under strong laser fields, within lowest-order perturbation theory and in dipole approximation.
LOPT with the atomic structure obtained through configuration interaction of antisymmetrized two-electron states.
The package uses the publicly available SLATEC, LAPACK, BLAS libraries.
It mainly depends on the number of B splines and the number of the included two-electron configurations for each total angular momentum. For the present examples (300 B-splines) and ~1000 configurations for L = S,P,D, on a AMD K-6 1000MHZ processor, typical running time is about 24 minutes of CPU time.
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