Related references
Note: Only part of the references are listed.Issues and challenges in orbital-free density functional calculations
V. V. Karasiev et al.
COMPUTER PHYSICS COMMUNICATIONS (2012)
Non-empirical improvement of PBE and its hybrid PBE0 for general description of molecular properties
Jorge M. del Campo et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Scaling, bounds, and inequalities for the noninteracting density functionals at finite temperature
James W. Dufty et al.
PHYSICAL REVIEW B (2011)
Exact Conditions in Finite-Temperature Density-Functional Theory
S. Pittalis et al.
PHYSICAL REVIEW LETTERS (2011)
Semiclassical Neutral Atom as a Reference System in Density Functional Theory
Lucian A. Constantin et al.
PHYSICAL REVIEW LETTERS (2011)
Introducing PROFESS 2.0: A parallelized, fully linear scaling program for orbital-free density functional theory calculations
Linda Hung et al.
COMPUTER PHYSICS COMMUNICATIONS (2010)
Variational fitting methods for electronic structure calculations
Brett I. Dunlap et al.
MOLECULAR PHYSICS (2010)
ABINIT: First-principles approach to material and nanosystem properties
X. Gonze et al.
COMPUTER PHYSICS COMMUNICATIONS (2009)
Variable Lieb-Oxford bound satisfaction in a generalized gradient exchange-correlation functional
A. Vela et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
Paolo Giannozzi et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2009)
Properties of constraint-based single-point approximate kinetic energy functionals
V. V. Karasiev et al.
PHYSICAL REVIEW B (2009)
Introducing PROFESS: A new program for orbital-free density functional theory calculations
Gregory S. Ho et al.
COMPUTER PHYSICS COMMUNICATIONS (2008)
Born-Oppenheimer interatomic forces from simple, local kinetic energy density functionals
V. V. Karasiev et al.
JOURNAL OF COMPUTER-AIDED MATERIALS DESIGN (2006)
A brief introduction to the ABINIT software package
X Gonze et al.
ZEITSCHRIFT FUR KRISTALLOGRAPHIE (2005)
Link between the kinetic- and exchange-energy functionals in the generalized gradient approximation
F Tran et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2002)
Energy and pressure versus volume: Equations of state motivated by the stabilized jellium model
AB Alchagirov et al.
PHYSICAL REVIEW B (2001)
A Projector Augmented Wave (PAW) code for electronic structure calculations, Part I:: atompaw for generating atom-centered functions
NAW Holzwarth et al.
COMPUTER PHYSICS COMMUNICATIONS (2001)
Share Paper
