Abstract
The interaction of atomic hydrogen with Cu 5 and Ag 5 cluster models simulating the Cu(100) and Ag(100) surfaces has been studied at the full configuration interaction (FCI) level in order to establish the transferability of differential correlation arising from the valence shell. It is shown that pseudopotentials that deal explicitly with one electron or eleven electrons lead to differential correlation effects which agree to within 1–2 mhartree when a localization procedure is used to separate d-shell MOs from the valence ones.
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