Abstract
Basis set superposition effects which are not removed by the counterpoise correction are shown to modify the electric properties of interacting subsystems and influence indirectly the calculated interaction energies. The role of these higher-order basis set superposition effects is illustrated by the calculation of the water molecule dipole moment and polarizability in the basis set of the water dimer.
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Karlström, G., Sadlej, A.J. Basis set superposition effects on properties of interacting systems. Dipole moments and polarizabilities. Theoret. Chim. Acta 61, 1–9 (1982). https://doi.org/10.1007/BF00573859
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DOI: https://doi.org/10.1007/BF00573859