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The study of performance of DFT functional for van der Waals interactions

✍ Scribed by Kolandaivel, P.; Uma Maheswari, D.; Senthilkumar, L.

Book ID
120835267
Publisher
Elsevier
Year
2013
Tongue
English
Weight
484 KB
Volume
1004
Category
Article
ISSN
2210-271X

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πŸ“œ SIMILAR VOLUMES

Toward the description of van der Waals
Toward the description of van der Waals interactions within density functional theory
✍ 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