Please use this identifier to cite or link to this item: http://hdl.handle.net/10553/49470
Title: Analysis of the omega function for a molecular system. Application to lithium hydride
Authors: Doreste-Suarez, L.
Martin-Gonzalez, J. M. 
Smeyers, Y. G.
Delgado-Barrio, G.
UNESCO Clasification: 2206 Física molecular
Issue Date: 1988
Publisher: 0166-1280
Journal: Journal of Molecular Structure: THEOCHEM 
Abstract: The omega function for the lithium hydride molecule ground state is analyzed at the equilibrium and at an dissociative distance. For this purpose, the first order density matrix, the natural orbitals, the natural configurational equivalents, and the correlation factors are deduced and discussed. It is found that the omega function taken into account appreciable correlation effects especially in the bond region.
URI: http://hdl.handle.net/10553/49470
ISSN: 0166-1280
DOI: 10.1016/0166-1280(88)80433-0
Source: Journal of Molecular Structure: THEOCHEM [ISSN 0166-1280], v. 166, p. 173-180
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