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arxiv: 1404.1663 · v1 · pith:SFWMGRYLnew · submitted 2014-04-07 · ⚛️ physics.chem-ph · physics.comp-ph

Correlation energy expressions from the adiabatic-connection fluctuation-dissipation theorem approach

classification ⚛️ physics.chem-ph physics.comp-ph
keywords variantsadiabatic-connectionapproachcorrelationenergyexchangefluctuation-dissipationsystems
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We explore several random phase approximation (RPA) correlation energy variants within the adiabatic-connection fluctuation-dissipation theorem approach. These variants differ in the way the exchange interactions are treated. One of these variants, named dRPA-II, is original to this work and closely resembles the second-order screened exchange (SOSEX) method. We discuss and clarify the connections among different RPA formulations. We derive the spin-adapted forms of all the variants for closed-shell systems, and test them on a few atomic and molecular systems with and without range separation of the electron-electron interaction.

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