Two variants nf the double exponential potential function and their virial modifications are proposed and tested. The first in reduced variables is F(t) = e(-mt){[m(m(2) - 1)(-1/2) - 1]exp[-(m(2) - 1)(1/2)t] - [m(m(2) - 1)(-1/2) + 1]exp/(m(2) - 1)(1/2)t]} where r = kappa s = kappa(R - R-e))/R-e, kappa is a scaling constant, and m is a parameter. The second is G(t) = e(-mt){e(-mt) - exp[(m(2) - 1)(1/2)t] + exp[-(m(2) - 1)(1/2)]}. For or < 1, F(t) and G(t) are expressible in terms of trigonometric functions. A new procedure multiplication by e(s)/(1 + s)] is illustrated that modifies potential functions so that they necessarily satisfy the molecular virial theorem. The generalized double exponential functions generate scaled first and second Dunham coefficients that well describe the experimental results for both ground and excited states. (C) 1997 John Wiley & Sons, Inc. [References: 19]
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