A critical note on density functional theory studies on rare-gas dimers
Abstract
In recent literature, some authors claim to have successfully applied density functional theory (DFT) methods to the attractive interaction between rare-gas atoms. In this note, we make a critical survey of these works and come to the conclusion that, in contrast to the claims made, state-of-the-art DFT methods are incapable of accounting for dispersion effects in a quantitative way.
- Publication:
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Journal of Chemical Physics
- Pub Date:
- June 2002
- DOI:
- Bibcode:
- 2002JChPh.116.9620V
- Keywords:
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- 31.15.Ew;
- Density-functional theory