Combining long-range configuration interaction with short-range density functionals

Abstract A density functional for short-range electron-electron interaction recently developed by one of us, has been implemented into a multi-reference configuration-interaction code with explicit treatment of long-range interaction only. Possible advantages of such an approach are discussed, using as examples some closed-shell atoms (Be, Ne) and diatomics (H2, Li2, C2, N2, F2).

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