Comparison of density functional approximations and the finite-temperature Hartree-Fock approximation in warm dense lithium

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

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

A variational average atom approach to closing the quantum Ornstein–Zernike relations

(2011) C.E. Starrett et al.   High Energy Density Physics

Electronic structure packages: Two implementations of the projector augmented wave (PAW) formalism

(2010) Marc Torrent et al.   COMPUTER PHYSICS COMMUNICATIONS

Pseudopotential and full-electron DFT calculations of thermodynamic properties of electrons in metals and semiempirical equations of state

(2010) P R Levashov et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Extension of exact-exchange density functional theory of solids to finite temperatures

(2010) Maximilian Greiner et al.   PHYSICAL REVIEW B

Pressure and electrical resistivity measurements on hot expanded nickel: Comparisons with quantum molecular dynamics simulations and average atom approaches

(2010) Jean Clérouin et al.   PHYSICAL REVIEW E

ABINIT: First-principles approach to material and nanosystem properties

(2009) X. Gonze et al.   COMPUTER PHYSICS COMMUNICATIONS

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

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

Transport properties of lithium hydride from quantum molecular dynamics and orbital-free molecular dynamics

(2009) D. A. Horner et al.   PHYSICAL REVIEW B

Ion structure in warm dense matter: Benchmarking solutions of hypernetted-chain equations by first-principle simulations

(2009) K. Wünsch et al.   PHYSICAL REVIEW E

Ab InitioDetermination of Thermal Conductivity of Dense Hydrogen Plasmas

(2009) Vanina Recoules et al.   PHYSICAL REVIEW LETTERS

Finite-temperature exchange-correlation functional in an ab initio molecular dynamics code

(2009) Gérald Faussurier et al.   High Energy Density Physics

Free–free opacity in warm dense aluminum

(2009) Sam M. Vinko et al.   High Energy Density Physics

Implementation of the projector augmented-wave method in the ABINIT code: Application to the study of iron under pressure

(2007) Marc Torrent et al.   COMPUTATIONAL MATERIALS SCIENCE