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van der Waals Interactions in Density-Functional Theory: Intermolecular Complexes

✍ Scribed by Kannemann, Felix O.; Becke, Axel D.


Book ID
120005457
Publisher
American Chemical Society
Year
2010
Tongue
English
Weight
98 KB
Volume
6
Category
Article
ISSN
1549-9618

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Toward the description of van der Waals
✍ Lein, M.; Dobson, J. F.; Gross, E. K. U. πŸ“‚ Article πŸ“… 1999 πŸ› John Wiley and Sons 🌐 English βš– 201 KB πŸ‘ 2 views

On the basis of the adiabatic connection formula we propose several approximations for the total correlation energy functional, which, in the limit of two separated neutral subsystems, correctly reproduce the van der Waals R y6 behavior. We have calculated the corresponding van der Waals coefficient