Semilocal and hybrid meta-generalized gradient approximations based on the understanding of the kinetic-energy-density dependence
出版年份 2013 全文链接
标题
Semilocal and hybrid meta-generalized gradient approximations based on the understanding of the kinetic-energy-density dependence
作者
关键词
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出版物
JOURNAL OF CHEMICAL PHYSICS
Volume 138, Issue 4, Pages 044113
出版商
AIP Publishing
发表日期
2013-02-01
DOI
10.1063/1.4789414
参考文献
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- (2012) Jiří Klimeš et al. JOURNAL OF CHEMICAL PHYSICS
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- (2012) Jianwei Sun et al. JOURNAL OF CHEMICAL PHYSICS
- New accurate reference energies for the G2/97 test set
- (2012) Robin Haunschild et al. JOURNAL OF CHEMICAL PHYSICS
- Perspective on density functional theory
- (2012) Kieron Burke JOURNAL OF CHEMICAL PHYSICS
- A meta-GGA Made Free of the Order of Limits Anomaly
- (2012) Adrienn Ruzsinszky et al. Journal of Chemical Theory and Computation
- Performance of meta-GGA Functionals on General Main Group Thermochemistry, Kinetics, and Noncovalent Interactions
- (2012) Pan Hao et al. Journal of Chemical Theory and Computation
- Van der Waals Coefficients for Nanostructures: Fullerenes Defy Conventional Wisdom
- (2012) Adrienn Ruzsinszky et al. PHYSICAL REVIEW LETTERS
- Finding Density Functionals with Machine Learning
- (2012) John C. Snyder et al. PHYSICAL REVIEW LETTERS
- Theoretical reference values for the AE6 and BH6 test sets from explicitly correlated coupled-cluster theory
- (2012) Robin Haunschild et al. THEORETICAL CHEMISTRY ACCOUNTS
- Self-consistent meta-generalized gradient approximation study of adsorption of aromatic molecules on noble metal surfaces
- (2011) Lara Ferrighi et al. JOURNAL OF CHEMICAL PHYSICS
- M11-L: A Local Density Functional That Provides Improved Accuracy for Electronic Structure Calculations in Chemistry and Physics
- (2011) Roberto Peverati 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
- Improved lattice constants, surface energies, and CO desorption energies from a semilocal density functional
- (2011) Jianwei Sun et al. PHYSICAL REVIEW B
- Erratum: Workhorse Semilocal Density Functional for Condensed Matter Physics and Quantum Chemistry [Phys. Rev. Lett.103, 026403 (2009)]
- (2011) John P. Perdew et al. PHYSICAL REVIEW LETTERS
- A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
- (2010) Stefan Grimme et al. JOURNAL OF CHEMICAL PHYSICS
- Global Hybrid Functionals: A Look at the Engine under the Hood
- (2010) Gábor I. Csonka et al. Journal of Chemical Theory and Computation
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- (2010) Jianwei Sun et al. PHYSICAL REVIEW B
- Oscillations in meta-generalized-gradient approximation potential energy surfaces for dispersion-bound complexes
- (2009) Erin R. Johnson et al. JOURNAL OF CHEMICAL PHYSICS
- Local hybrids as a perturbation to global hybrid functionals
- (2009) Robin Haunschild et al. JOURNAL OF CHEMICAL PHYSICS
- Van der Waals Interactions in Density-Functional Theory: Rare-Gas Diatomics
- (2009) Felix O. Kannemann et al. Journal of Chemical Theory and Computation
- The RPA Atomization Energy Puzzle
- (2009) Adrienn Ruzsinszky et al. Journal of Chemical Theory and Computation
- Treatment of Layered Structures Using a Semilocal meta-GGA Density Functional
- (2009) Georg K. H. Madsen et al. Journal of Physical Chemistry Letters
- Chemical accuracy for the van der Waals density functional
- (2009) Jiří Klimeš et al. JOURNAL OF PHYSICS-CONDENSED MATTER
- Nonlocal van der Waals Density Functional Made Simple
- (2009) Oleg A. Vydrov et al. PHYSICAL REVIEW LETTERS
- Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data
- (2009) Alexandre Tkatchenko et al. PHYSICAL REVIEW LETTERS
- Density Functionals with Broad Applicability in Chemistry
- (2008) Yan Zhao et al. ACCOUNTS OF CHEMICAL RESEARCH
- Density functional with full exact exchange, balanced nonlocality of correlation, and constraint satisfaction
- (2008) John P. Perdew et al. PHYSICAL REVIEW A
- Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
- (2008) John P. Perdew et al. PHYSICAL REVIEW LETTERS
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