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Manuscript Title: A program to calculate Franck-Condon factors.
Authors: A.C. Allison
Program title: FRANCK-CONDON FACTOR PROGRAM
Catalogue identifier: AACA_v1_0
Distribution format: gz
Journal reference: Comput. Phys. Commun. 1(1969)21
Programming language: Fortran.
Computer: CDC 6400.
Operating system: SCOPE.
RAM: 16K words
Word size: 60
Keywords: Transition, Frank-condon, Bound states, Eigenvalues, Eigenfunctions, Schrodinger equation, Potential, Local, Numerov, Molecular physics, Vibration.
Classification: 16.3.

Revision history:
Type Tit le Reference
correction 000A CORRECTION 21/10/70 See below

Nature of problem:
The program calculates Frank-Condon factors. This involves the calculation of eigenvalues and eigenfunctions of the Schrodinger equation for two different potential functions.

Restrictions:
The program can be easily modified to accept potential functions of any complexity rather than the analytical expression required by this version.

Unusual features:
A single array of mesh points is used for the numerical integration corresponding to both upper and lower state wavefunctions. It is easy to invent a pathological case for which, with reference to a particular computer word length, integration of both equations using a single set of mesh points would not be possible. However, this situation did not occur in any of the cases we considered.


Running time:
Best time: 555 Franck-Condon factors in 283 s. Test time: 4 Franck-Condon factors in 5 s.

CORRECTION SUMMARY
Manuscript Title: A program to calculate Franck-Condon factors. (C.P.C. 1(1969)21).
Authors: A.C. Allison
Program title: 000A CORRECTION 21/10/70
Catalogue identifier: AACA_v1_0
Distribution format: gz
Journal reference: Comput. Phys. Commun. 1(1970)23
Classification: 16.3.