Nonlocal orbital-free noninteracting free-energy functional for warm dense matter

Uniform electron gas at finite temperatures

(2013) Travis Sjostrom et al.   PHYSICAL REVIEW B

Equations of state and transport properties of warm dense beryllium: A quantum molecular dynamics study

(2013) Cong Wang et al.   PHYSICAL REVIEW E

Transport properties of lithium hydride at extreme conditions from orbital-free molecular dynamics

(2013) L. Burakovsky et al.   PHYSICAL REVIEW E

Can orbital-free density functional theory simulate molecules?

(2012) Junchao Xia et al.   JOURNAL OF CHEMICAL PHYSICS

Generalized-gradient-approximation noninteracting free-energy functionals for orbital-free density functional calculations

(2012) Valentin V. Karasiev et al.   PHYSICAL REVIEW B

Generalized nonlocal kinetic energy density functionals based on the von Weizsäcker functional

(2011) David García-Aldea et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Nonlocal orbital-free kinetic energy density functional for semiconductors

(2010) Chen Huang 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

Introducing PROFESS: A new program for orbital-free density functional theory calculations

(2008) Gregory S. Ho et al.   COMPUTER PHYSICS COMMUNICATIONS

Thermophysical properties of warm dense hydrogen using quantum molecular dynamics simulations

(2008) Bastian Holst et al.   PHYSICAL REVIEW B

Equation of state of a dense boron plasma by Thomas–Fermi–Dirac–Weizsäcker molecular dynamics

(2008) J.-F. Danel et al.   PHYSICS OF PLASMAS