Correlation energy expressions from the adiabatic-connection fluctuation-dissipation theorem approach
Chemical Physics
2014-04-08 v1 Computational Physics
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.
Keywords
Cite
@article{arxiv.1404.1663,
title = {Correlation energy expressions from the adiabatic-connection fluctuation-dissipation theorem approach},
author = {János G. Angyán and Ru-Fen Liu and Julien Toulouse and Georg Jansen},
journal= {arXiv preprint arXiv:1404.1663},
year = {2014}
}