Lower bound to the long-range interaction energy of two identical rare gas atoms in the restricted Hartree-Fock approximation
- 1 July 1973
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 59 (1) , 44-46
- https://doi.org/10.1063/1.1679824
Abstract
The localized orbital description for a homonuclear diatomic molecule leads to a lower bound for the interaction energy of two identical rare gas atoms, computed in the restricted Hartree‐Fock (RHF) approximation. At all sufficiently large internuclear separations, the lower bound is positive, implying that the interaction energy must approach zero from above. Therefore the RHF approximation cannot predict any asymptotic attractive interaction for systems consisting of two like rare gas atoms.Keywords
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