Density-based mixing parameter for hybrid functionals

Defect levels through hybrid density functionals: Insights and applications

(2010) Audrius Alkauskas et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

Parameter-free density functional for the correlation energy in two dimensions

(2010) E. Räsänen et al.   PHYSICAL REVIEW B

Screened exchange density functional applied to solids

(2010) Stewart J. Clark et al.   PHYSICAL REVIEW B

Strong Interplay between Structure and Electronic Properties inCuIn(S,Se)2: A First-Principles Study

(2010) Julien Vidal et al.   PHYSICAL REVIEW LETTERS

Effects of Electronic and Lattice Polarization on the Band Structure of Delafossite Transparent Conductive Oxides

(2010) Julien Vidal et al.   PHYSICAL REVIEW LETTERS

How to tell when a model Kohn–Sham potential is not a functional derivative

(2009) Alex P. Gaiduk et al.   JOURNAL OF CHEMICAL PHYSICS

Polarizabilities of Polyacetylene from a Field-Counteracting Semilocal Functional

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

Strong excitonic effects inCuAlO2delafossite transparent conductive oxides

(2009) Robert Laskowski et al.   PHYSICAL REVIEW B

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

(2009) Fabien Tran et al.   PHYSICAL REVIEW LETTERS

Hybrid functionals with local range separation

(2008) Aliaksandr V. Krukau et al.   JOURNAL OF CHEMICAL PHYSICS

Accurate solid-state band gaps via screened hybrid electronic structure calculations

(2008) Edward N. Brothers et al.   JOURNAL OF CHEMICAL PHYSICS

Ab-initiosimulations of materials using VASP: Density-functional theory and beyond

(2008) Jürgen Hafner   JOURNAL OF COMPUTATIONAL CHEMISTRY

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

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

Dielectric properties and excitons for extended systems from hybrid functionals

(2008) Joachim Paier et al.   PHYSICAL REVIEW B