Browsing Fakultet for teknologi, kunst og design (TKD) by Subject "Quantum chemistry"
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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 ...