## Subroutine to Generate Analytic Potential Energy Functions for the X
and A States of NaH and NaD

Walji, Sentjens and Le Roy
[
J.Chem.Phys. submitted December 2014 ] recently determined accurate
analytic potential energy functions for the X(^1\Sigma^+) and A(^1\Sigma^+)
states of NaH and NaD from combined-isotopologue direct-potential-fits
to all of the available spectroscopic data. A FORTRAN subroutine for
generating these functions may be downloaded by selecting the link below.
Solution of the Schrodinger equation with these potentials should use
reduced masses based on the masses of the two atoms that may be incorporated
though calls to subroutine 'MASSES.f' from program **LEVEL**, a copy
of which is attached to the subroutine listing. The input parameters
for this NaH potential function subroutine, 'SUBROUTINE POTGEN_NaH-XA.f', are
the mass numbers of the isotopologue of interest, an integer identifying
which of the two potentials is to be generated, and the array of radial
distances at which the potential is to be generated. To facilitate
use of this special NaH/NaD potential energy subroutine in the
general-purpose bound-state subroutine LEVEL, an alternate version this
subroutine may be obtained by modifying this subroutine as described by
its internal Comments, with a value of the integer ISTATE being specified
at Line #89.

This subroutine for generating either of these
potentials for either isotopologue is automatically
distributed (by e-mail) to those who fill in the following form:
Download Diatomic NaH Potential Subroutine .

Similarly, sample input data files for performing Program **LEVEL**
calculations using any of these potentials are automatically
distributed (by e-mail) to those who fill in the following form:
Download Diatomic NaH Input data files for program LEVEL_8.2 .

**Site owned by R.J. Le Roy: leroy @ UWaterloo.ca
**
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