Abstract
The exchange energy between two atoms has been expressed in terms of a flux integral over a localized wavefunction by Holstein and Herring. By approximating this wavefunction to first order in polarization perturbation theory (Rayleigh-Schrödinger theory) it is possible to calculate the exchange energy at large internuclear distances. The procedure is illustrated by a calculation for H 2 +. The total exchange energy is found to be in excellent agreement with the exact results at large R and good agreement within 11% is found down to R = 2 au.
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