Related references
Note: Only part of the references are listed.Challenges for Density Functional Theory
Aron J. Cohen et al.
CHEMICAL REVIEWS (2012)
The generalized SIC-OEP formalism and the generalized SIC-Slater approximation (stationary and time-dependent cases)
J. Messud et al.
ANNALEN DER PHYSIK (2011)
Prediction of the Derivative Discontinuity in Density Functional Theory from an Electrostatic Description of the Exchange and Correlation Potential
Xavier Andrade et al.
PHYSICAL REVIEW LETTERS (2011)
Slater half-occupation technique revisited: the LDA-1/2 and GGA-1/2 approaches for atomic ionization energies and band gaps in semiconductors
Luiz G. Ferreira et al.
AIP ADVANCES (2011)
Toward an All-Around Semilocal Potential for Electronic Exchange
Micael J. T. Oliveira et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2010)
Fractional charge perspective on the band gap in density-functional theory
Aron J. Cohen et al.
PHYSICAL REVIEW B (2008)
Approximation to density functional theory for the calculation of band gaps of semiconductors
Luiz G. Ferreira 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)
The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals
Yan Zhao et al.
THEORETICAL CHEMISTRY ACCOUNTS (2008)
The dependence on and continuity of the energy and other molecular properties with respect to the number of electrons
Paul W. Ayers
JOURNAL OF MATHEMATICAL CHEMISTRY (2008)
Assessment of a long-range corrected hybrid functional
Oleg A. Vydrov et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Comparative assessment of a new nonempirical density functional: Molecules and hydrogen-bonded complexes (vol 119, pg 12129, 2003)
VN Staroverov et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
A long-range-corrected time-dependent density functional theory
Y Tawada et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Accurate Rydberg excitations from the local density approximation
A Wasserman et al.
PHYSICAL REVIEW LETTERS (2003)
Comparative assessment of a new nonempirical density functional: Molecules and hydrogen-bonded complexes
VN Staroverov et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Climbing the density functional ladder: Nonempirical meta-generalized gradient approximation designed for molecules and solids
JM Tao et al.
PHYSICAL REVIEW LETTERS (2003)
Shape corrections to exchange-correlation potentials by gradient-regulated seamless connection of model potentials for inner and outer region
M Grüning et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Asymptotic correction approach to improving approximate exchange-correlation potentials: Time-dependent density-functional theory calculations of molecular excitation spectra
ME Casida et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
Slater transition-state band-structure calculations
DA Liberman
PHYSICAL REVIEW B (2000)
Degenerate ground states and a fractional number of electrons in density and reduced density matrix functional theory
WT Yang et al.
PHYSICAL REVIEW LETTERS (2000)
Molecular calculations of excitation energies and (hyper)polarizabilities with a statistical average of orbital model exchange-correlation potentials
PRT Schipper et al.
JOURNAL OF CHEMICAL PHYSICS (2000)