An empirical form for the potential energy curve of a diatomic molecule which closely resembles the frequently used 6–12 potential is: This has the advantage over the 6–12 potential that it gives simple analytic form for the ground state solution of the Schrödinger equation: It is shown how the parameters a and λ may be fitted to the coordinates of the potential minimum, and how it may be used to define upper and lower bounds to the lowest eigenvalue of any non-empirical potential. The diatomics He2 and Ne2 are specifically considered.
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J.N. Murrell (1969) studied this question.
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