Journal
MOLECULAR PHYSICS
Volume 105, Issue 5-7, Pages 663-677Publisher
TAYLOR & FRANCIS LTD
DOI: 10.1080/00268970701241656
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A new analytic potential energy function form which incorporates the two leading inverse-power terms in the long-range potential is introduced and applied to a recently reported data set for the ground X-1 Sigma(+) state of Ca-2. The new function yields an accurate representation of data which span 99.97% of the well depth and involves only a fraction as many (between 1/3 and 2/3 fewer) parameters as were needed to define published potential functions for these systems based on the same data. Fits using this form also allow a robust determination of the dissociation energy and C-6 dispersion coefficient, and the resulting function is easier to use than other potential functions which have been determined for this system.
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