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Manuscript Title: TRIATOM: for the calculaton of ro-vibrational spectra of triatomic molecules.
Authors: J. Tennyson, S. Miller, C.R. Le Sueur
Program title: SELECT
Catalogue identifier: ABJX_v2_0
Distribution format: gz
Journal reference: Comput. Phys. Commun. 75(1993)339
Programming language: Fortran.
Computer: Convex C3840.
Operating system: BSD UNIX.
Word size: 32
Peripherals: disc.
Keywords: Molecular physics, Vibration, Basis set selection, First-order, Perturbation theory.
Classification: 16.3.

Nature of problem:
SELECT selects basis sets for TRIATOM [1].

Solution method:
A basis is selected either according to its quantum numbers and/or the value of its diagonal matrix element [2].

Restrictions:
The size of matrix that can be handled by TRIATOM.

Unusual features:
A user supplied subroutine containing the potential energy as an analytic function (optionally a Legendre polynomial expansion) may be needed. SELECT produces a file which drives TRIATOM.

Running time:
Negligible compared to TRIATOM. The sample data takes 3 sec on the Convex C3840.

References:
[1] J. Tennyson, S. Miller and C.R. Le Sueur, this article, first program (TRIATOM).
[2] J. Tennyson, Computer Phys. Reports 4 (1986) 1.