Journal
CHEMICAL PHYSICS LETTERS
Volume 424, Issue 4-6, Pages 425-431Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.cplett.2006.04.084
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By direct-fitting the parameters in the physically motivated extended Hartree-Fock approximate correlation energy model to spectroscopic data, potential curves have been obtained for a variety of diatomic systems that mimic the ro-vibrational data often within much less than 1 cm(-1), The approach offers a simple, yet accurate, scheme for modeling the two-body terms that are the leading contributions in a cluster expansion of potential energy surfaces of larger dimensionality. (c) 2006 Elsevier B.V. All rights reserved.
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