Exchange-correlation potential with correct asymptotic behavior
In this work we analyze the properties of the exchange-correlation potential in the Kohn-Sham form of density-functional theory, which leads to requirements for approximate pote...
In this work we analyze the properties of the exchange-correlation potential in the Kohn-Sham form of density-functional theory, which leads to requirements for approximate pote...
Density functional theory has received great interest mostly because of the accurate bonding energies and related properties (geometries, force constants) it provides. However, ...
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