Asymptotic correction schemes for semilocal exchange-correlation functionals
Published 2013 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
Asymptotic correction schemes for semilocal exchange-correlation functionals
Authors
Keywords
-
Journal
PHYSICAL REVIEW A
Volume 87, Issue 5, Pages -
Publisher
American Physical Society (APS)
Online
2013-05-17
DOI
10.1103/physreva.87.052510
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Assessment of density functional methods with correct asymptotic behavior
- (2013) Chen-Wei Tsai et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Restoration of the Derivative Discontinuity in Kohn-Sham Density Functional Theory: An Efficient Scheme for Energy Gap Correction
- (2013) Jeng-Da Chai et al. PHYSICAL REVIEW LETTERS
- Long-range corrected hybrid meta-generalized-gradient approximations with dispersion corrections
- (2012) You-Sheng Lin et al. JOURNAL OF CHEMICAL PHYSICS
- Density functional theory with fractional orbital occupations
- (2012) Jeng-Da Chai JOURNAL OF CHEMICAL PHYSICS
- Long-Range Corrected Hybrid Density Functionals with Improved Dispersion Corrections
- (2012) You-Sheng Lin et al. Journal of Chemical Theory and Computation
- Improved Electronic Excitation Energies from Shape-Corrected Semilocal Kohn-Sham Potentials
- (2012) Alex P. Gaiduk et al. PHYSICAL REVIEW LETTERS
- Challenges for Density Functional Theory
- (2011) Aron J. Cohen et al. CHEMICAL REVIEWS
- Construction of integrable model Kohn-Sham potentials by analysis of the structure of functional derivatives
- (2011) Alex P. Gaiduk et al. PHYSICAL REVIEW A
- Prediction of the Derivative Discontinuity in Density Functional Theory from an Electrostatic Description of the Exchange and Correlation Potential
- (2011) Xavier Andrade et al. PHYSICAL REVIEW LETTERS
- Optics of Semiconductors from Meta-Generalized-Gradient-Approximation-Based Time-Dependent Density-Functional Theory
- (2011) V. U. Nazarov et al. PHYSICAL REVIEW LETTERS
- Real-space calculations of atomic and molecular polarizabilities using asymptotically correct exchange-correlation potentials
- (2010) Igor Vasiliev et al. PHYSICAL REVIEW A
- How to tell when a model Kohn–Sham potential is not a functional derivative
- (2009) Alex P. Gaiduk et al. JOURNAL OF CHEMICAL PHYSICS
- Long-range corrected double-hybrid density functionals
- (2009) Jeng-Da Chai et al. JOURNAL OF CHEMICAL PHYSICS
- Workhorse Semilocal Density Functional for Condensed Matter Physics and Quantum Chemistry
- (2009) John P. Perdew et al. PHYSICAL REVIEW LETTERS
- Accurate Band Gaps of Semiconductors and Insulators with a Semilocal Exchange-Correlation Potential
- (2009) Fabien Tran et al. PHYSICAL REVIEW LETTERS
- Optimal operators for Hartree–Fock exchange from long-range corrected hybrid density functionals
- (2008) Jeng-Da Chai et al. CHEMICAL PHYSICS LETTERS
- Systematic optimization of long-range corrected hybrid density functionals
- (2008) Jeng-Da Chai et al. JOURNAL OF CHEMICAL PHYSICS
- Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections
- (2008) Jeng-Da Chai et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Orbital-dependent density functionals: Theory and applications
- (2008) Stephan Kümmel et al. REVIEWS OF MODERN PHYSICS
- Insights into Current Limitations of Density Functional Theory
- (2008) A. J. Cohen et al. SCIENCE
Find the ideal target journal for your manuscript
Explore over 38,000 international journals covering a vast array of academic fields.
SearchAdd 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 Now