期刊
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
卷 7, 期 10, 页码 3116-3130出版社
AMER CHEMICAL SOC
DOI: 10.1021/ct200501r
关键词
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资金
- ANR (Agence National de Recherche) [ANR-07-BLAN-0272]
- Agence Nationale de la Recherche (ANR) [ANR-07-BLAN-0272] Funding Source: Agence Nationale de la Recherche (ANR)
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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