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Correlation Energy Expressions from the Adiabatic-Connection Fluctuation-Dissipation Theorem Approach
János G Ángyán1, Ru-Fen Liu1, Julien Toulouse2
1CRM2, Institut Jean Barriol, Nancy University and CNRS, 54506 Vandoeuvre-lès-Nancy, France.
Abstract:
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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