Analysis of the Heyd-Scuseria-Ernzerhof density functional parameter space

Non-empirical improvement of PBE and its hybrid PBE0 for general description of molecular properties

(2012) Jorge M. del Campo et al.   JOURNAL OF CHEMICAL PHYSICS

On the accuracy of the non-self-consistent calculation of the electronic structure of solids with hybrid functionals

(2012) Fabien Tran   PHYSICS LETTERS A

Electronic level alignment at a metal-molecule interface from a short-range hybrid functional

(2011) Ariel Biller et al.   JOURNAL OF CHEMICAL PHYSICS

Two-Dimensional Scan of the Performance of Generalized Gradient Approximations with Perdew–Burke–Ernzerhof-Like Enhancement Factor

(2011) E. Fabiano et al.   Journal of Chemical Theory and Computation

Efficient, long-range correlation from occupied wave functions only

(2011) Tim Gould et al.   PHYSICAL REVIEW B

Positivity constraints and information-theoretical kinetic energy functionals

(2011) S. B. Trickey et al.   PHYSICAL REVIEW B

Density-based mixing parameter for hybrid functionals

(2011) Miguel A. L. Marques et al.   PHYSICAL REVIEW B

Reliability of Hybrid Functionals in Predicting Band Gaps

(2011) Manish Jain et al.   PHYSICAL REVIEW LETTERS

Improving Band Gap Prediction in Density Functional Theory from Molecules to Solids

(2011) Xiao Zheng et al.   PHYSICAL REVIEW LETTERS

Correlation energy functional within theGW-RPA: Exact forms, approximate forms, and challenges

(2010) Sohrab Ismail-Beigi   PHYSICAL REVIEW B

Screened exchange density functional applied to solids

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

Fundamental Gaps in Finite Systems from Eigenvalues of a Generalized Kohn-Sham Method

(2010) Tamar Stein et al.   PHYSICAL REVIEW LETTERS

Levels of self-consistency in the GW approximation

(2009) Adrian Stan et al.   JOURNAL OF CHEMICAL PHYSICS

Ground-state properties of simple elements from GW calculations

(2009) Andrey Kutepov et al.   PHYSICAL REVIEW B

Is size-consistency possible with density functional approximations?

(2008) Andreas Savin   CHEMICAL PHYSICS

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

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

Influence of the Core-Valence Interaction and of the Pseudopotential Approximation on the Electron Self-Energy in Semiconductors

(2008) Ricardo Gómez-Abal et al.   PHYSICAL REVIEW LETTERS

Localization and Delocalization Errors in Density Functional Theory and Implications for Band-Gap Prediction

(2008) Paula Mori-Sánchez et al.   PHYSICAL REVIEW LETTERS

Orbital-dependent density functionals: Theory and applications

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