Related references
Note: Only part of the references are listed.Toward an orbital-free density functional theory of transition metals based on an electron density decomposition
Chen Huang et al.
PHYSICAL REVIEW B (2012)
Density-decomposed orbital-free density functional theory for covalently bonded molecules and materials
Junchao Xia et al.
PHYSICAL REVIEW B (2012)
Orbital-Free DFT Simulations of Elastic Response and Tensile Yielding of Ultrathin [111] Al Nanowires
Linda Hung et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2011)
Quantum mechanical study of solid solution effects on dislocation nucleation during nanoindentation
Qing Peng et al.
MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING (2010)
Nonlocal orbital-free kinetic energy density functional for semiconductors
Chen Huang et al.
PHYSICAL REVIEW B (2010)
Accurate simulations of metals at the mesoscale: Explicit treatment of 1 million atoms with quantum mechanics
Linda Hung et al.
CHEMICAL PHYSICS LETTERS (2009)
ABINIT: First-principles approach to material and nanosystem properties
X. Gonze et al.
COMPUTER PHYSICS COMMUNICATIONS (2009)
Properties of constraint-based single-point approximate kinetic energy functionals
V. V. Karasiev et al.
PHYSICAL REVIEW B (2009)
Transferable local pseudopotentials for magnesium, aluminum and silicon
Chen Huang et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2008)
A brief introduction to the ABINIT software package
X Gonze et al.
ZEITSCHRIFT FUR KRISTALLOGRAPHIE (2005)
Transferable local pseudopotentials derived via inversion of the Kohn-Sham equations in a bulk environment
BJ Zhou et al.
PHYSICAL REVIEW B (2004)
Surface structure of liquid Li and Na:: An ab initio molecular dynamics study -: art. no. 085501
DJ González et al.
PHYSICAL REVIEW LETTERS (2004)