The Electronic Ground State of Molecular Nitrogen
β Scribed by S. Edwards; J.Y. Roncin; F. Launay; F. Rostas
- Publisher
- Elsevier Science
- Year
- 1993
- Tongue
- English
- Weight
- 569 KB
- Volume
- 162
- Category
- Article
- ISSN
- 0022-2852
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π SIMILAR VOLUMES
A near Hartree-Fock wavefunction for HBS has been used to compute various molecular properties at the experimental geometry. These are compared with the available specrroscopic data on the molecule.
## Abstract In this paper, finite dimensional approximations for the electronic ground state solution of a molecular system are studied in the ThomasβFermiβvon WeizsΓ€cker type setting. The convergence of the finite dimensional approximations obtained by a Galerkin discretization of the nonlinear ei
## Ab initio HartreerFock calculations have been perfonncd on the ground and on.the frost excited states of NaO, KO and RbO. It is found that the former and thr -'atter two molecules, though valence-isoelectronic, have tiei-first two loui-lying cle&onic states in reversed order. Quantitative evide