Browsing Sentraladministrasjonen by Journals "Journal of Chemical Physics"
Now showing items 1-2 of 2
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Exchange energies with forces in density-functional theory
(Peer reviewed; Journal article, 2024)We propose exchanging the energy functionals in ground-state density-functional theory with physically equivalent exact force expressions as a new promising route toward approximations to the exchange–correlation potential ... -
Exchange-only virial relation from the adiabatic connection
(Peer reviewed; Journal article, 2024)The exchange-only virial relation due to Levy and Perdew is revisited. Invoking the adiabatic connection, we introduce the exchange energy in terms of the right-derivative of the universal density functional w.r.t. the ...