Procedure supplementing SCF interaction energies by dispersion term evaluated in dimer basis set within variation-perturbation approach

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A variation-perturbation procedure for the evaluation of dispersion interaction, originally proposed by Jeziorski and van Hemert, has been reformulated to include basis set extension effects on an equal footing with the SCF interaction energy, corrected for basis set superposition error (BSSE). This approach has been tested for He2, (H2)2, (H2O)2, and (C2H4)2 complexes.