Construction of a general semilocal exchange-correlation hole model: Application to nonempirical meta-GGA functionals
出版年份 2013 全文链接
标题
Construction of a general semilocal exchange-correlation hole model: Application to nonempirical meta-GGA functionals
作者
关键词
-
出版物
PHYSICAL REVIEW B
Volume 88, Issue 12, Pages -
出版商
American Physical Society (APS)
发表日期
2013-09-10
DOI
10.1103/physrevb.88.125112
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。- Meta-GGA Exchange-Correlation Functional with a Balanced Treatment of Nonlocality
- (2013) Lucian A. Constantin et al. Journal of Chemical Theory and Computation
- Towards nonlocal density functionals by explicit modeling of the exchange-correlation hole in inhomogeneous systems
- (2013) K. J. H. Giesbertz et al. PHYSICAL REVIEW A
- Relevance of coordinate and particle-number scaling in density-functional theory
- (2013) Eduardo Fabiano et al. PHYSICAL REVIEW A
- A new meta-GGA exchange functional based on an improved constraint-based GGA
- (2012) Jorge M. del Campo et al. CHEMICAL PHYSICS LETTERS
- Spin-dependent gradient correction for more accurate atomization energies of molecules
- (2012) Lucian A. Constantin et al. JOURNAL OF CHEMICAL PHYSICS
- Communication: Effect of the orbital-overlap dependence in the meta generalized gradient approximation
- (2012) Jianwei Sun et al. 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
- Exchange–Correlation Functional with Good Accuracy for Both Structural and Energetic Properties while Depending Only on the Density and Its Gradient
- (2012) Roberto Peverati et al. Journal of Chemical Theory and Computation
- Semilocal dynamical correlation with increased localization
- (2012) Lucian A. Constantin et al. PHYSICAL REVIEW B
- Nonuniform Scaling Applied to Surface Energies of Transition Metals
- (2012) Letizia Chiodo et al. PHYSICAL REVIEW LETTERS
- Generalized gradient exchange functionals based on the gradient-regulated connection: a new member of the TCA family
- (2012) Éric Brémond et al. THEORETICAL CHEMISTRY ACCOUNTS
- Two-Dimensional Scan of the Performance of Generalized Gradient Approximations with Perdew–Burke–Ernzerhof-Like Enhancement Factor
- (2011) E. Fabiano et al. Journal of Chemical Theory and Computation
- Dispersion Interactions with Density-Functional Theory: Benchmarking Semiempirical and Interatomic Pairwise Corrected Density Functionals
- (2011) Noa Marom et al. Journal of Chemical Theory and Computation
- Generalized Gradient Approximations of the Noninteracting Kinetic Energy from the Semiclassical Atom Theory: Rationalization of the Accuracy of the Frozen Density Embedding Theory for Nonbonded Interactions
- (2011) S. Laricchia et al. Journal of Chemical Theory and Computation
- 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
- Improving atomization energies of molecules and solids with a spin-dependent gradient correction from one-electron density analysis
- (2011) Lucian A. Constantin et al. PHYSICAL REVIEW B
- Correlation energy functional from jellium surface analysis
- (2011) Lucian A. Constantin 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
- Communication: Ionization potentials in the limit of large atomic number
- (2010) Lucian A. Constantin et al. JOURNAL OF CHEMICAL PHYSICS
- Generalized gradient approximation bridging the rapidly and slowly varying density regimes: A PBE-like functional for hybrid interfaces
- (2010) Eduardo Fabiano et al. PHYSICAL REVIEW B
- Density-functional calculations for large systems: Can GGA functionals Be competitive with hybrid functionals?
- (2010) Vincent Tognetti et al. Interdisciplinary Sciences-Computational Life Sciences
- Long-Range-Corrected Hybrids Based on a New Model Exchange Hole
- (2009) Elon Weintraub et al. Journal of Chemical Theory and Computation
- Exchange-correlation hole of a generalized gradient approximation for solids and surfaces
- (2009) Lucian A. Constantin 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
- Density Functionals with Broad Applicability in Chemistry
- (2008) Yan Zhao et al. ACCOUNTS OF CHEMICAL RESEARCH
- Generalized gradient approximation model exchange holes for range-separated hybrids
- (2008) Thomas M. Henderson et al. JOURNAL OF CHEMICAL PHYSICS
- Hybrid functionals with local range separation
- (2008) Aliaksandr V. Krukau 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
- Semiclassical Origins of Density Functionals
- (2008) Peter Elliott et al. PHYSICAL REVIEW 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 NowBecome a Peeref-certified reviewer
The Peeref Institute provides free reviewer training that teaches the core competencies of the academic peer review process.
Get Started