Nonuniform Scaling Applied to Surface Energies of Transition Metals

Thickness-dependent fcc–hcp phase transformation in polycrystalline titanium thin films

(2011) J. Chakraborty et al.   ACTA MATERIALIA

Exchange-correlation generalized gradient approximation for gold nanostructures

(2011) E. Fabiano et al.   JOURNAL OF CHEMICAL PHYSICS

Correlation energy functional from jellium surface analysis

(2011) Lucian A. Constantin et al.   PHYSICAL REVIEW B

Semiclassical Neutral Atom as a Reference System in Density Functional Theory

(2011) Lucian A. Constantin et al.   PHYSICAL REVIEW LETTERS

Erratum: Workhorse Semilocal Density Functional for Condensed Matter Physics and Quantum Chemistry [Phys. Rev. Lett.103, 026403 (2009)]

(2011) John P. Perdew et al.   PHYSICAL REVIEW LETTERS

Dimensionality dependence of the self-interaction correction in the local-density approximation to density functional theory

(2010) I. Nagy et al.   PHYSICAL REVIEW B

Generalized gradient approximation bridging the rapidly and slowly varying density regimes: A PBE-like functional for hybrid interfaces

(2010) Eduardo Fabiano et al.   PHYSICAL REVIEW B

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

(2009) Paolo Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Workhorse Semilocal Density Functional for Condensed Matter Physics and Quantum Chemistry

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

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

Density functional with full exact exchange, balanced nonlocality of correlation, and constraint satisfaction

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

Dimensional crossover of the exchange-correlation energy at the semilocal level

(2008) Lucian A. Constantin   PHYSICAL REVIEW B

High-Level Correlated Approach to the Jellium Surface Energy, without Uniform-Gas Input

(2008) Lucian A. Constantin et al.   PHYSICAL REVIEW LETTERS

Collapse of the Electron Gas to Two Dimensions in Density Functional Theory

(2008) Lucian A. Constantin 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