标题
Insight into the performance of GGA functionals for solid-state calculations
作者
关键词
-
出版物
PHYSICAL REVIEW B
Volume 80, Issue 19, Pages -
出版商
American Physical Society (APS)
发表日期
2009-11-13
DOI
10.1103/physrevb.80.195109
参考文献
相关参考文献
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- (2009) Adrienn Ruzsinszky et al. Journal of Chemical Theory and Computation
- 2D−3D Transition for Cationic and Anionic Gold Clusters: A Kinetic Energy Density Functional Study
- (2009) Lara Ferrighi et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Erratum: Tests of a ladder of density functionals for bulk solids and surfaces [Phys. Rev. B69, 075102 (2004)]
- (2009) Viktor N. Staroverov et al. PHYSICAL REVIEW B
- Gradient-dependent density functionals of the Perdew-Burke-Ernzerhof type for atoms, molecules, and solids
- (2009) Luana S. Pedroza et al. PHYSICAL REVIEW B
- Erratum: Calculation of the lattice constant of solids with semilocal functionals [Phys. Rev. B79, 085104 (2009)]
- (2009) Philipp Haas et al. PHYSICAL REVIEW B
- Calculation of the lattice constant of solids with semilocal functionals
- (2009) Philipp Haas et al. PHYSICAL REVIEW B
- Implementing and testing the AM05 spin density functional
- (2009) Ann E. Mattsson et al. PHYSICAL REVIEW B
- Assessing the performance of recent density functionals for bulk solids
- (2009) Gábor I. Csonka et al. PHYSICAL REVIEW B
- Workhorse Semilocal Density Functional for Condensed Matter Physics and Quantum Chemistry
- (2009) John P. Perdew et al. PHYSICAL REVIEW LETTERS
- Accurate Bulk Properties from Approximate Many-Body Techniques
- (2009) Judith Harl et al. PHYSICAL REVIEW LETTERS
- Erratum: Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces [Phys. Rev. Lett.100, 136406 (2008)]
- (2009) John P. Perdew et al. PHYSICAL REVIEW LETTERS
- A new parameter-free correlation functional based on an average atomic reduced density gradient analysis
- (2008) Vincent Tognetti et al. JOURNAL OF CHEMICAL PHYSICS
- A unified density-functional treatment of dynamical, nondynamical, and dispersion correlations. II. Thermochemical and kinetic benchmarks
- (2008) Erin R. Johnson et al. JOURNAL OF CHEMICAL PHYSICS
- The AM05 density functional applied to solids
- (2008) Ann E. Mattsson et al. JOURNAL OF CHEMICAL PHYSICS
- Construction of a generalized gradient approximation by restoring the density-gradient expansion and enforcing a tight Lieb–Oxford bound
- (2008) Yan Zhao et al. JOURNAL OF CHEMICAL PHYSICS
- Semiempirical Double-Hybrid Density Functional with Improved Description of Long-Range Correlation
- (2008) Tobias Benighaus et al. JOURNAL OF PHYSICAL CHEMISTRY A
- The shortcomings of semi-local and hybrid functionals: what we can learn from surface science studies
- (2008) A Stroppa et al. NEW JOURNAL OF PHYSICS
- Density functional with full exact exchange, balanced nonlocality of correlation, and constraint satisfaction
- (2008) John P. Perdew et al. PHYSICAL REVIEW A
- Assessing the Perdew-Burke-Ernzerhof exchange-correlation density functional revised for metallic bulk and surface systems
- (2008) M. Ropo et al. PHYSICAL REVIEW B
- Electronic surface error in the Si interstitial formation energy
- (2008) Ann E. Mattsson et al. PHYSICAL REVIEW B
- Comment on “More accurate generalized gradient approximation for solids”
- (2008) Yan Zhao et al. PHYSICAL REVIEW B
- Reply to “Comment on ‘More accurate generalized gradient approximation for solids’”
- (2008) Zhigang Wu et al. PHYSICAL REVIEW B
- Perdewet al.Reply:
- (2008) John P. Perdew et al. PHYSICAL REVIEW LETTERS
- Comment on “Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces”
- (2008) Ann E. Mattsson et al. PHYSICAL REVIEW LETTERS
- Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
- (2008) John P. Perdew et al. PHYSICAL REVIEW LETTERS
- Configurational thermodynamics of alloys from first principles: effective cluster interactions
- (2008) A V Ruban et al. REPORTS ON PROGRESS IN PHYSICS
- Orbital-dependent density functionals: Theory and applications
- (2008) Stephan Kümmel et al. REVIEWS OF MODERN PHYSICS
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