LEVEL 7.0
A Program for Diatomic Bound State and Franck-Condon Factor Calculations
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A new and substantially updated version of R.J. Le Roy's bound-state
Franck-Condon factor code, "LEVEL 7.0" has now been issued and may be freely
obtained, together with the associated (updated) user manual, "University of
Waterloo Chemical Physics Research Report CP-642 (2000)", from the WWW site:
http://theochem.uwaterloo.ca/~leroy/
This program allows one to calculate the eigenvalues of bound and quasibound
levels of any smooth one-dimensional or radial potential, together with (as
desired) expectation values and centrifugal distortion constants for
specified levels, and Franck-Condon factors or matrix elements of specified
powers of a chosen distance variable (and hence of quantities expanded as
power series in this variable) or of a user-specified radial function defined
by interpolating over a set of read-in points. Such off-diagonal matrix
elements may couple levels of the same potential or levels of two different
potentials, subject to rotational selection rules specified by the user's
input data file.
--
Robert J. Le Roy Office: ESC-332
Professor of Chemistry Phone: (519)888-4567, X-4051
University of Waterloo FAX: (519)746-0435
Waterloo, Ontario N2L 3G1, Canada e-mail: [log in to unmask]
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