Basis set convergence of molecular correlation energy differences within the random phase approximation
出版年份 2012 全文链接
标题
Basis set convergence of molecular correlation energy differences within the random phase approximation
作者
关键词
-
出版物
JOURNAL OF CHEMICAL PHYSICS
Volume 136, Issue 8, Pages 084105
出版商
AIP Publishing
发表日期
2012-02-28
DOI
10.1063/1.3687005
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。- Electron correlation methods based on the random phase approximation
- (2012) Henk Eshuis et al. THEORETICAL CHEMISTRY ACCOUNTS
- Basis-Set Quality and Basis-Set Bias in Molecular Property Calculations
- (2011) Dmitrij Rappoport CHEMPHYSCHEM
- On the effectiveness of CCSD(T) complete basis set extrapolations for atomization energies
- (2011) David Feller et al. JOURNAL OF CHEMICAL PHYSICS
- A Parameter-Free Density Functional That Works for Noncovalent Interactions
- (2011) Henk Eshuis et al. Journal of Physical Chemistry Letters
- A thorough benchmark of density functional methods for general main group thermochemistry, kinetics, and noncovalent interactions
- (2011) Lars Goerigk et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Beyond the Random-Phase Approximation for the Electron Correlation Energy: The Importance of Single Excitations
- (2011) Xinguo Ren et al. PHYSICAL REVIEW LETTERS
- Range-separated density-functional theory with random phase approximation applied to noncovalent intermolecular interactions
- (2010) Wuming Zhu et al. JOURNAL OF CHEMICAL PHYSICS
- Basis set consistent revision of the S22 test set of noncovalent interaction energies
- (2010) Tait Takatani et al. JOURNAL OF CHEMICAL PHYSICS
- On the equivalence of ring-coupled cluster and adiabatic connection fluctuation-dissipation theorem random phase approximation correlation energy expressions
- (2010) Georg Jansen et al. JOURNAL OF CHEMICAL PHYSICS
- Fast computation of molecular random phase approximation correlation energies using resolution of the identity and imaginary frequency integration
- (2010) Henk Eshuis et al. JOURNAL OF CHEMICAL PHYSICS
- Range-separated density-functional theory with the random-phase approximation: Detailed formalism and illustrative applications
- (2010) Julien Toulouse et al. PHYSICAL REVIEW A
- Assessing the quality of the random phase approximation for lattice constants and atomization energies of solids
- (2010) Judith Harl et al. PHYSICAL REVIEW B
- A General Database for Main Group Thermochemistry, Kinetics, and Noncovalent Interactions − Assessment of Common and Reparameterized (meta-)GGA Density Functionals
- (2009) Lars Goerigk et al. Journal of Chemical Theory and Computation
- Performance of Ab Initio and Density Functional Methods for Conformational Equilibria ofCnH2n+2Alkane Isomers (n= 4−8)†
- (2009) David Gruzman et al. JOURNAL OF PHYSICAL CHEMISTRY A
- The ground state correlation energy of the random phase approximation from a ring coupled cluster doubles approach
- (2008) Gustavo E. Scuseria et al. JOURNAL OF CHEMICAL PHYSICS
- Developing the random phase approximation into a practical post-Kohn–Sham correlation model
- (2008) Filipp Furche JOURNAL OF CHEMICAL PHYSICS
Discover Peeref hubs
Discuss science. Find collaborators. Network.
Join a conversationFind the ideal target journal for your manuscript
Explore over 38,000 international journals covering a vast array of academic fields.
Search