New analytic form for the potential energy curves of stable diatomic states
- 1 January 1974
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics
- Vol. 70, 1552-1556
- https://doi.org/10.1039/f29747001552
Abstract
An analytic potential for stable states of diatomic molecules is proposed V=–De(1 +a1r+a2r2+a3r3)e–a1r. The constants a1, a2 and a3 are obtained from the harmonic, cubic and quartic force constants. The potential is shown to be superior to the Hulburt–Hirschfelder potential when tested on a least-squares basis against the spectroscopic RKR potential.Keywords
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