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The dispersion force of physical adsorption: I. Local theory

✍ Scribed by Xue-Pei Jiang; Flavio Toigo; Milton W. Cole


Book ID
118985287
Publisher
Elsevier Science
Year
1984
Tongue
English
Weight
696 KB
Volume
145
Category
Article
ISSN
0039-6028

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πŸ“œ SIMILAR VOLUMES


Can (semi)local density functional theor
✍ SΓ‘ndor KristyΓ‘n; PΓ©ter Pulay πŸ“‚ Article πŸ“… 1994 πŸ› Elsevier Science 🌐 English βš– 514 KB

The reproduction of the interatomic potential in He2, Ne2, and Ar, by Kohn-Sham theory is investigated using a density functional program which can perform counterpoise corrections for both basis sets and numerical integration. None of the functionals considered accounts successfully for the dispers