Improved self-consistent and resolution-of-identity approximated Becke'05 density functional model of nondynamic electron correlation
出版年份 2012 全文链接
标题
Improved self-consistent and resolution-of-identity approximated Becke'05 density functional model of nondynamic electron correlation
作者
关键词
-
出版物
JOURNAL OF CHEMICAL PHYSICS
Volume 136, Issue 3, Pages 034102
出版商
AIP Publishing
发表日期
2012-01-18
DOI
10.1063/1.3676726
参考文献
相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。- The two faces of static correlation
- (2011) Joshua W. Hollett et al. JOURNAL OF CHEMICAL PHYSICS
- A simple but fully nonlocal correction to the random phase approximation
- (2011) Adrienn Ruzsinszky et al. JOURNAL OF CHEMICAL PHYSICS
- Efficient self-consistent DFT calculation of nondynamic correlation based on the B05 method
- (2010) Emil Proynov et al. CHEMICAL PHYSICS LETTERS
- Singlet−Triplet Energy Gaps for Diradicals from Fractional-Spin Density-Functional Theory
- (2010) Daniel H. Ess et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Density functional theory for strongly-interacting electrons: perspectives for physics and chemistry
- (2010) Paola Gori-Giorgi et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- On the self-consistent implementation of general occupied-orbital dependent exchange-correlation functionals with application to the B05 functional
- (2009) Alexei V. Arbuznikov et al. JOURNAL OF CHEMICAL PHYSICS
- When does static correlation scale to the high-density limit as exchange does?
- (2009) John P. Perdew et al. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
- Density-Functional Theory for Strongly Interacting Electrons
- (2009) Paola Gori-Giorgi et al. PHYSICAL REVIEW LETTERS
- Analytical representation of the Becke–Roussel exchange functional
- (2008) Emil Proynov et al. CHEMICAL PHYSICS LETTERS
- Multiconfiguration optimized effective potential method for a density-functional treatment of static correlation
- (2008) Martin Weimer et al. JOURNAL OF CHEMICAL PHYSICS
- Self-consistent generalized Kohn-Sham local hybrid functionals of screened exchange: Combining local and range-separated hybridization
- (2008) Benjamin G. Janesko et al. JOURNAL OF CHEMICAL PHYSICS
- Fractional spins and static correlation error in density functional theory
- (2008) Aron J. Cohen et al. JOURNAL OF CHEMICAL PHYSICS
- Density functional with full exact exchange, balanced nonlocality of correlation, and constraint satisfaction
- (2008) John P. Perdew et al. PHYSICAL REVIEW A
- Insights into Current Limitations of Density Functional Theory
- (2008) A. J. Cohen et al. SCIENCE
- Multi-reference calculations of nitric oxide dimer
- (2007) Naoki Taguchi et al. CHEMICAL PHYSICS LETTERS
Add your recorded webinar
Do you already have a recorded webinar? Grow your audience and get more views by easily listing your recording on Peeref.
Upload NowAsk a Question. Answer a Question.
Quickly pose questions to the entire community. Debate answers and get clarity on the most important issues facing researchers.
Get Started