Comment on “On the importance of the fragment relaxation energy terms in the estimation of the basis set superposition error correction to the intermolecular interaction energy” [J. Chem. Phys. 104, 8821 (1996)]
Authors:
- 15 July 1998
- journal article
- conference paper
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 109 (3) , 1198-1200
Abstract
In a recent communication [J. Chem. Phys. 104, 88821 (1996)], Xantheas argued that the omission of the fragment relaxation energy terms introduces errors in the estimation of the basis set superposition error (BSSE) correction to the intermolecular interaction energy. It is shown that this conclusion is unwarranted and results from an application of an inappropriate definition of the interaction energy.Keywords
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