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Nonempirical density-functional theory for van der Waals interactions

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


Book ID
123607417
Publisher
NRC Research Press
Year
2010
Tongue
French
Weight
93 KB
Volume
88
Category
Article
ISSN
0008-4042

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πŸ“œ SIMILAR VOLUMES


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