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Manuscript Title: Generation of symmetry-adapted functions for molecular calculations.
Authors: L. Skala
Program title: SYMMET
Catalogue identifier: AAPD_v1_0
Distribution format: gz
Journal reference: Comput. Phys. Commun. 24(1981)135
Programming language: Fortran.
Computer: ICL 4-72.
Operating system: MULTIJOB.
RAM: 3K words
Word size: 32
Keywords: Electronic, Structure, Molecule, Symmetry-adapted Function, Point group, Irreducible Representation.
Classification: 16.1.

Nature of problem:
The group theory is used for the classification of energy states of molecules and the transformation of the eigenvalue problem to a quasidiagonal form.

Solution method:
Symmetry-adapted linear combinations of the basis functions and other information are obtained by means of the symmetrizing operator.

Restrictions:
All the most important point groups are included. There is no restriction on the number of the basis functions.

Running time:
The running time is usually negligible in comparison with other steps of the electronic structure calculation. The test run took 30 s on an ICL 4-72.