## 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)] recently determined accurate analytic
potential energy functions for the X (^1\Sigma_g^+), A (^1\Sigma_u^+),
a (^3\Sigma_u^+) and c (1 ^3\Sigma_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 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
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
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 #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 @ UWaterloo.ca **
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