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Molecular orbitals of nitrogen at small internuclear distances

✍ Scribed by Robert S. Mulliken

Publisher
John Wiley and Sons
Year
1974
Tongue
English
Weight
229 KB
Volume
8
Category
Article
ISSN
0020-7608

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πŸ“œ SIMILAR VOLUMES

The AMO method at small internuclear dis
The AMO method at small internuclear distances
✍ K. A. Chao; F. A. Oliveira; R. O. De Cerqueira; Norberto Majlis πŸ“‚ Article πŸ“… 1977 πŸ› John Wiley and Sons 🌐 English βš– 337 KB

## Abstract The AMO function of the hydrogen molecule ψ = ψ~c~ + Ξ· ψ~__i__~, where ψ~c~ is the covalent part and ψ~__i__~ the ionic part, is investigated for small internuclear distances __R__. We found Ξ· β†’ βˆ’1 as R β†’,βˆ’1 as __R__ β†’ 0, contrary to the intuitively expected limit Ξ· β†’ 1. However, near _

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## Abstract There are well‐established mathematical relationships for the energy of a diatomic molecule (the exact energy, but also both the Hartree‐Fock and Thomas‐Fermi energies) in the limit of large nuclear charge of the atoms and small internuclear distances. We present calculated energies for