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Articles you may be interested inOn the importance of the fragment relaxation energy terms in the estimation of the basis set superposition error correction to the intermolecular interaction energy A systematic study on the basis set superposition error in the calculation of interaction energies of systems of biological interest J. Chem. Phys. 90, 6361 (1989); 10.1063/1.456353 Correction of the basis set superposition error in SCF and MP2 interaction energies. The water dimer J. Chem. Phys. 84, 6328 (1986); 10.1063/1.450725 Systematic study of basis set superposition errors in the calculated interaction energy of two HF moleculesA procedure to estimate the basis set superposition error is proposed avoiding the overestimation of the counterpoise correction in the van der Waals interactions. Numerical calculations were carried out in the Ne· .. Ne complex at the SCF level.

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