Application of screened hybrid functionals to the bulk transition metals Rh, Pd, and Pt

Performance of the M11-L density functional for bandgaps and lattice constants of unary and binary semiconductors

(2012) Roberto Peverati et al.   JOURNAL OF CHEMICAL PHYSICS

Improved semiconductor lattice parameters and band gaps from a middle-range screened hybrid exchange functional

(2012) M J Lucero et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Electronic structure of CrN: A comparison between different exchange correlation potentials

(2012) A. S. Botana et al.   PHYSICAL REVIEW B

Accounting for spin fluctuations beyond local spin density approximation in the density functional theory

(2012) L. Ortenzi et al.   PHYSICAL REVIEW B

Challenges for Density Functional Theory

(2011) Aron J. Cohen et al.   CHEMICAL REVIEWS

Improved hybrid functional for solids: The HSEsol functional

(2011) Laurids Schimka et al.   JOURNAL OF CHEMICAL PHYSICS

Implementation of screened hybrid functionals based on the Yukawa potential within the LAPW basis set

(2011) Fabien Tran et al.   PHYSICAL REVIEW B

HSE hybrid functional within the FLAPW method and its application to GdN

(2011) Martin Schlipf et al.   PHYSICAL REVIEW B

Density-based mixing parameter for hybrid functionals

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

VO2: A Novel View from Band Theory

(2011) V. Eyert   PHYSICAL REVIEW LETTERS

Calculation of semiconductor band structures and defects by the screened exchange density functional

(2010) S. J. Clark et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

Accurate treatment of solids with the HSE screened hybrid

(2010) Thomas M. Henderson et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

Erratum: Band structure and itinerant magnetism in quantum criticalNbFe2[Phys. Rev. B81, 024422 (2010)]

(2010) Alaska Subedi et al.   PHYSICAL REVIEW B

Band structure and itinerant magnetism in quantum criticalNbFe2

(2010) Alaska Subedi et al.   PHYSICAL REVIEW B

Screened exchange density functional applied to solids

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

Interplay between magnetic, electronic, and vibrational effects in monolayer Mn3O4 grown on Pd(100)

(2009) C. Franchini et al.   JOURNAL OF CHEMICAL PHYSICS

Erratum: Calculation of the lattice constant of solids with semilocal functionals [Phys. Rev. B79, 085104 (2009)]

(2009) Philipp Haas et al.   PHYSICAL REVIEW B

Calculation of the lattice constant of solids with semilocal functionals

(2009) Philipp Haas et al.   PHYSICAL REVIEW B

Assessing the performance of recent density functionals for bulk solids

(2009) Gábor I. Csonka et al.   PHYSICAL REVIEW B

Erratum: Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces [Phys. Rev. Lett.100, 136406 (2008)]

(2009) John P. Perdew et al.   PHYSICAL REVIEW LETTERS

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

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

Hybrid functionals applied to extended systems

(2008) M Marsman et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Comment on “More accurate generalized gradient approximation for solids”

(2008) Yan Zhao et al.   PHYSICAL REVIEW B

Reply to “Comment on ‘More accurate generalized gradient approximation for solids’”

(2008) Zhigang Wu et al.   PHYSICAL REVIEW B

Hybrid exchange-correlation functional for accurate prediction of the electronic and structural properties of ferroelectric oxides

(2008) D. I. Bilc et al.   PHYSICAL REVIEW B

Perdewet al.Reply:

(2008) John P. Perdew et al.   PHYSICAL REVIEW LETTERS

Comment on “Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces”

(2008) Ann E. Mattsson et al.   PHYSICAL REVIEW LETTERS

Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces

(2008) John P. Perdew et al.   PHYSICAL REVIEW LETTERS

Orbital-dependent density functionals: Theory and applications

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