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Accurate and efficient calculation of van der Waals interactions within density functional theory by local atomic potential approach

✍ Scribed by Sun, Y. Y.; Kim, Yong-Hyun; Lee, Kyuho; Zhang, S. B.


Book ID
121794535
Publisher
American Institute of Physics
Year
2008
Tongue
English
Weight
399 KB
Volume
129
Category
Article
ISSN
0021-9606

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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