dc.creator Dunning, T. H., Jr. en_US dc.creator Cartwright, David C. en_US dc.date.accessioned 2006-06-15T17:03:44Z dc.date.available 2006-06-15T17:03:44Z dc.date.issued 1973 en_US dc.identifier 1973-G-09 en_US dc.identifier.uri http://hdl.handle.net/1811/16001 dc.description $^{1}$ P. E. Cade, K. D. Sales and A. C. Wahl, J. Chem. Phys. 44, 1973 (1966). en_US dc.description Author Institution: California Institute of Technology, Pasadena; Aerospace Corporation, El Segundo, California, 90245. en_US dc.description.abstract Accurate generalized valence bond (GVB) and GVB configuration interaction (GVB-CI) calculations have been carried out on the ground state of the nitrogen molecule for internuclear distances from 0 80 to 5.00 \AA. From a Dunham analysis of the resulting potential energy curves we obtained the spectroscopic constants given in Table I. [FIGURE] In addition, the molecular quadrupole moment and electric field gradient were calculated with the GVB wavefunction; the dependence of these properties upon the internuclear separation differs substantially from that obtained in the Hartree-Fock approximation. We will discuss in detail the GVB description of the electronic structure of the ground state of the nitrogen molecule, contrasting this simple description whenever appropriate with the Hartree-Fock and CI descriptions. en_US dc.format.extent 218223 bytes dc.format.mimetype image/jpeg dc.language.iso English en_US dc.publisher Ohio State University en_US dc.title GENERALIZED VALENCE BOND AND CONFIGURATION INTERACTION CALCULATIONS ON THE GROUND STATE OF $N_{2}$ en_US dc.type article en_US
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