### Subroutine to Generate Analytic Potentials for the X, A, 'a' and 'c'
States of Diatomic Lithium

Le Roy et al. [J.Chem.Phys 131,204309 (2009)], and
Dattani and Le Roy [J.Mol.Spectrosc. **268** 199-210 (2011)]
have determined accurate analytic potential energy functions for the
*X*(^{1}Σ_{g}^{+}),
*A*(^{1}Σ_{u}^{+}),
*a*(^{3}Σ_{u}^{+}), and
*c*(^{3}Σ_{g}^{+}), states of diatomic
Lithium from combined-isotopologue direct-potential-fits to large bodies
of high quality spectroscopic data. A FORTRAN subroutine
for generating these functions may be downloaded by selecting the link below.
Solution of the radial 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 Li_{2} potential function
subroutine, 'potgenLi2.f', are the mass numbers of the isotopologue
of interest, an integer identifying which of the four 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 Li_{2}
potential energy subroutine in the general-purpose bound-state program
**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 #82.

This subroutine for generating any of these potentials
for any chosen Li_{2} isotopologue is automatically
distributed (by e-mail) to those who fill in the following form:
Download Diatomic Lithium 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 Lithium LEVEL Input data files .

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