Proof of Two Conjectures of Mulliken Concerning the Electronic Energy of Diatomic Molecules for Small R
- 15 August 1968
- journal article
- conference paper
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 49 (4) , 1931-1934
- https://doi.org/10.1063/1.1670328
Abstract
This paper deals with the coefficient in the expansion of the electronic energy of diatomic molecules for the manifold of molecular states (characterized by the quantum number or ) originating from a given state of the united atom. Explicit expressions for and are derived, which generalize two conjectures of Mulliken concerning the (or ) dependence of . As an example, the six lowest states of the BH molecule, which originate from the three lowest states of the carbon atom, are treated numerically.
Keywords
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