Continuous Representations in the Statistical Theory of Electronic Energies. The H2+ Ion
- 1 March 1966
- journal article
- conference paper
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 44 (5) , 1812-1815
- https://doi.org/10.1063/1.1726945
Abstract
A version of the statistical theory of electronic energies, arising from a consideration of alternative partitionings of the Hamiltonian, has been applied to the H2+ ion, yielding electronic energies ∼6% greater in magnitude than the exact theoretical values at several values of the internuclear separation. The binding energy at the theoretical equilibrium separation was calculated to be 0.1024 a.u. compared to the experimental value of 0.1026 a.u.Keywords
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