REPRESENTATION OF DIATOMIC VIBRATIONAL POTENTIALS BY RATIONAL FRACTIONS WITH CORRECT LONG-RANGE BEHAVIOUR
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Date
1978
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Ohio State University
Abstract
It is proposed that rational fractions [N,M] be used to represent vibrational potentials V as function of nuclear separation R, with N and M chosen to yield the correct long-range form of V. Here N and M are the degree of the numerator and denominator polynomials, respectively. This procedure was applied to the Born-Oppenheimer V for the ground state of $H_{2}{^{+}}$; a [5,9] fitting yielding an approximate V with maximum error of $0.04\;cm^{-1}$ in the domain $0.5 \leq R \leq 50$ {\AA}. The approximate V not only has the correct form at large R, but is remarkably reliable near the origin and yields accurate vibration eigenenergies.
Description
This research was sponsored by the Air Force Office of Scientific Research under Grand No. AFOSR-77-3132.
Author Institution: Department of Physics and Astronomy, The University of New Mexico
Author Institution: Department of Physics and Astronomy, The University of New Mexico