Journal Article10.1016/J.HEDP.2009.03.009
Finite-temperature exchange-correlation functional in an ab initio molecular dynamics code
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TL;DR: In this article, the role of finite-temperature exchange-correlation functional in an ab initio molecular dynamics code using a variational approach to describe the electronic and ionic structures was investigated.
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About: This article is published in High Energy Density Physics. The article was published on 01 Jun 2009. The article focuses on the topics: SIESTA (computer program) & Density functional theory.
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Citations
Partial ionization in dense plasmas: comparisons among average-atom density functional models.
Michael S. Murillo,Jon C. Weisheit,Stephanie Hansen,Stephanie Hansen,M. W. C. Dharma-wardana +4 more
TL;DR: Nuclei interacting with electrons in dense plasmas acquire electronic bound states, modify continuum states, generate resonances and hopping electron states, and generate short-range ionic order, which is illustrated in the context of x-ray Thomson scattering in warm dense matter.
116
Equation of State, Occupation Probabilities and Conductivities in the Average Atom Purgatorio Code
P Sterne
- 22 Dec 2006
TL;DR: The Purgatorio code as discussed by the authors uses phase shift tracking and an efficient refinement scheme to provide an accurate description of the atomic shell-related features which are absent in Thomas-Fermi-based approaches.
99
RESEOS - A model of thermodynamic and optical properties of hot and warm dense matter
TL;DR: In this article, the equation-of-state and opacity calculations for hot and warm dense matter are performed with the RESEOS code based on Liberman's average-atom model.
39
Temperature-dependent behavior of confined many-electron systems in the Hartree-Fock approximation
TL;DR: The thermal Hartree-Fock approximation as discussed by the authors is a well-known free-energy density function for WDM, which has been shown to produce physical behavior different from that produced by simple ground-state density functionals used at finite temperature.
28
Orbital-free molecular dynamics simulations of transport properties in dense-plasma uranium
TL;DR: In this article, the self-diffusion coefficients and shear viscosity of dense-plasma uranium using orbital-free molecular dynamics (OFMD) at the Thomas-Fermi-Dirac level were investigated.
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