4.7 Article

Correlation Energy Expressions from the Adiabatic-Connection Fluctuation-Dissipation Theorem Approach

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

-

资金

  1. ANR (Agence National de Recherche) [ANR-07-BLAN-0272]
  2. Agence Nationale de la Recherche (ANR) [ANR-07-BLAN-0272] Funding Source: Agence Nationale de la Recherche (ANR)

向作者/读者索取更多资源

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.

作者

我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。

评论

主要评分

4.7
评分不足

次要评分

新颖性
-
重要性
-
科学严谨性
-
评价这篇论文

推荐

暂无数据
暂无数据