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Density-functional exchange-energy approximation with correct asymptotic behavior

โœ Scribed by Becke, A. D.

Book ID
111652194
Publisher
The American Physical Society
Year
1988
Tongue
English
Weight
145 KB
Volume
38
Category
Article
ISSN
1050-2947

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๐Ÿ“œ SIMILAR VOLUMES

Design of an exchange functional with co
Design of an exchange functional with correct asymptotics
โœ R. Santamaria ๐Ÿ“‚ Article ๐Ÿ“… 1997 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 176 KB

Knowledge of asymptotic conditions on exchange allows for a better design of exchange energy expressions in density functional theory. By working inside an exchange-only framework, the fulfillment of such conditions by some of the most widely used exchange functionals is discussed. In turn, we propo