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。Implementing and testing the AM05 spin density functional
Ann E. Mattsson et al.
PHYSICAL REVIEW B (2009)
Fully Ab Initio Finite-Size Corrections for Charged-Defect Supercell Calculations
Christoph Freysoldt et al.
PHYSICAL REVIEW LETTERS (2009)
Accurate Band Gaps of Semiconductors and Insulators with a Semilocal Exchange-Correlation Potential
Fabien Tran et al.
PHYSICAL REVIEW LETTERS (2009)
Fractional charge perspective on the band gap in density-functional theory
Aron J. Cohen et al.
PHYSICAL REVIEW B (2008)
Assessment of correction methods for the band-gap problem and for finite-size effects in supercell defect calculations: Case studies for ZnO and GaAs
Stephan Lany et al.
PHYSICAL REVIEW B (2008)
Localization and delocalization errors in density functional theory and implications for band-gap prediction
Paula Mori-Sanchez et al.
PHYSICAL REVIEW LETTERS (2008)
Influence of the exchange screening parameter on the performance of screened hybrid functionals
Aliaksandr V. Krukau et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Oxidation energies of transition metal oxides within the GGA+U framework
Lei Wang et al.
PHYSICAL REVIEW B (2006)
Functional designed to include surface effects in self-consistent density functional theory
R Armiento et al.
PHYSICAL REVIEW B (2005)
A brief introduction to the ABINIT software package
X Gonze et al.
ZEITSCHRIFT FUR KRISTALLOGRAPHIE (2005)
Hybrid functionals based on a screened Coulomb potential
J Heyd et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
分享论文
