Related papers: Dense plasma opacity via the multiple-scattering m…
Recently, a new connection between density functional theory and kinetic theory has been proposed. In particular, it was shown that the Kohn-Sham (KS) equations can be reformulated as a macroscopic limit of the steady-state solution of a…
We have developed and implemented a new quantum molecular dynamics approximation that allows fast and accurate simulations of dense plasmas from cold to hot conditions. The method is based on a carefully designed orbital-free implementation…
Last year, at least 30,000 scientific papers used the Kohn-Sham scheme of density functional theory to solve electronic structure problems in a wide variety of scientific fields, ranging from materials science to biochemistry to…
The thermal conductivity of a dense {\it multi-component} plasma is critical to the modeling of accreting neutron stars. To this end, we perform large-scale molecular dynamics simulations to calculate the static structure factor of the…
We calculate the thermal spectral function of SYM plasma with finite density using holographic technique. We take the RN-AdS black hole as the dual gravity theory. In the presence of charge, vector modes of gravitational and electromagnetic…
The density functional approach in the Kohn-Sham approximation is widely used to study properties of many-electron systems. Due to the nonlinearity of the Kohn-Sham equations, the general self-consistence searching method involves…
We present a theory of linear optical constants based on a single-particle density matrix and implemented in an extension of the real-space multiple scattering code FEFF. This approach avoids the need to compute wave-functions explicitly,…
The exchange-correlation energy in Kohn-Sham density functional theory is expressed as a functional of the electronic density and the Kohn-Sham orbitals. An alternative to Kohn-Sham theory is to express the energy as a functional of the…
A recently developed formalism in which Kohn-Sham calculations are combined with an ``average pair density functional theory'' is reviewed, and some new properties of the effective electron-electron interaction entering in this formalism…
Opacity is an important ingredient of the evolution of stars. The calculation of opacity coefficients is complicated by the fact that the plasma contains partially ionized heavy ions that contribute to opacity dominated by H and He. Up to…
Starting from the observation that one of the most successful methods for solving the Kohn-Sham equations for periodic systems -- the plane-wave method -- is a spectral method based on eigenfunction expansion, we formulate a spectral method…
We explore the physics of electron acceleration in a plasma medium in an effective field theory framework. Employing a multiple Compton scattering mechanism, it is found that the acceleration can be sustained in such a medium so as to…
The methods of quantum chemistry and solid state theory to solve the many-body problem are reviewed. We start with the definitions of reduced density matrices, their properties (contraction sum rules, spectral resolutions, cumulant…
Two electrons at the threshold of ionization represent a severe test case for electronic structure theory. A pseudospectral method yields a very accurate density of the two-electron ion with nuclear charge close to the critical value.…
We propose approximate and accurate formulas for the number of electron configurations in hot plasmas. Such a quantity is an ingredient of algorithms devoted to the generation of configurations or superconfigurations, which is a…
We propose a framework to construct the ground-state energy and density matrix of an N-electron system by solving selfconsistently a set of single-particle equations. The method can be viewed as a non-trivial extension of the Kohn-Sham…
In hot dense plasmas of intermediate or high-Z elements in the state of local thermodynamic equilibrium, the number of electronic configurations contributing to key macroscopic quantities such as the spectral opacity and equation of state,…
Compact radio sources sometimes exhibit intervals of large, rapid changes in their flux-density, due to lensing by interstellar plasma crossing the line-of-sight. A novel survey program has made it possible to discover these "Extreme…
Understanding many processes, e.g. fusion experiments, planetary interiors and dwarf stars, depends strongly on microscopic physics modeling of warm dense matter (WDM) and hot dense plasma. This complex state of matter consists of a…
A thesis providing a pedagogical introduction to the problem of achieving self-consistency in density functional theory. Contained is an introduction to the framework of Kohn-Sham density functional theory, leading then to the…