Orbital Localization, Charge Transfer, and Band Gaps in Semilocal Density-Functional Theory

Excitation Gaps of Finite-Sized Systems from Optimally Tuned Range-Separated Hybrid Functionals

(2012) Leeor Kronik et al.   Journal of Chemical Theory and Computation

Asymptotic behavior of the Kohn-Sham exchange potential at a metal surface

(2012) Zhixin Qian   PHYSICAL REVIEW B

Dissociation of diatomic molecules and the exact-exchange Kohn-Sham potential: The case of LiF

(2011) Adi Makmal et al.   PHYSICAL REVIEW A

Toward an All-Around Semilocal Potential for Electronic Exchange

(2010) Micael J. T. Oliveira et al.   Journal of Chemical Theory and Computation

Becke-Johnson-type exchange potential for two-dimensional systems

(2010) S. Pittalis et al.   PHYSICAL REVIEW B

Polarizabilities of Polyacetylene from a Field-Counteracting Semilocal Functional

(2009) A. Karolewski et al.   Journal of Chemical Theory and Computation

Revisiting Molecular Dissociation in Density Functional Theory: A Simple Model

(2009) David G. Tempel et al.   Journal of Chemical Theory and Computation

Accurate Band Gaps of Semiconductors and Insulators with a Semilocal Exchange-Correlation Potential

(2009) Fabien Tran et al.   PHYSICAL REVIEW LETTERS

Virial exchange energies from model exact-exchange potentials

(2008) Alex P. Gaiduk et al.   JOURNAL OF CHEMICAL PHYSICS

Electrical response of molecular chains in density functional theory: Ultranonlocal response from a semilocal functional

(2008) R. Armiento et al.   PHYSICAL REVIEW B

Orbital-dependent density functionals: Theory and applications

(2008) Stephan Kümmel et al.   REVIEWS OF MODERN PHYSICS