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[Licence| Download | New Version Template] adpw_v1_0.tar.gz(7 Kbytes)
Manuscript Title: GTOBAS: fitting continuum functions with Gaussian-type orbitals.
Authors: A. Faure, J.D. Gorfinkiel, L.A. Morgan, J. Tennyson
Program title: NUMCBAS
Catalogue identifier: ADPW_v1_0
Distribution format: tar.gz
Journal reference: Comput. Phys. Commun. 144(2002)224
Programming language: Fortran.
Computer: Compaq Alpha-DEC, IBM RS/6000.
Operating system: Digital UNIX V5.0, IBM AIX 4.3.2.0.
RAM: 0.1M words
Word size: 32
Keywords: Bessel and Coulomb functions, Atomic physics, Electron scattering, Molecular physics.
Classification: 2.4.

Nature of problem:
Evaluation/calculation of Bessel and Coulomb functions. Provides input for GTOBAS (this paper).

Solution method:
Numerical integration of the Schrodinger equation from both boundaries and matching using de Vogelaere's algorithm.

Restrictions:
The program could in principle solve a model scattering problem with any kind of potential, although in its present form, only Coulomb potentials can be input.

Running time:
Typically, 0.03s.