Second order Rayleigh Schrödinger perturbation theory is applied to calculate the correlation energy contribution to the London dispersion interaction to approximate the interaction of the He and Ne with the MgO(100) surface; single particle orbitals using either Hartree–Fock theory or hybrid-exchange density functional theory are used as the reference state.
R. Martinez-Casado, G. Mallia and N. M. Harrison, Chem. Commun., 2011, 47, 11630 DOI: 10.1039/C1CC14623H
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