### 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. 142, 044305 (2015)] determined accurate analytic
potential energy functions for the X(^{1}Σ^{+})
and A(^{1}Σ^{+}) 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 Schrödinger 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 program
**LEVEL**, an alternate version of 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.

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