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In this paper, we investigate the energy minimization model of the ensemble Kohn-Sham density functional theory for metallic systems, in which a pseudo-eigenvalue matrix and a general smearing approach are involved. We study the invariance…

Numerical Analysis · Mathematics 2022-01-19 Xiaoying Dai , Stefano de Gironcoli , Bin Yang , Aihui Zhou

The gas of the interacted electrons is usually described within Kohn-Sham approximation by the set of Poisson and Schr\"{o}dinger equations with an effective potential for the single-particle wave functions. The solution of these equations…

Materials Science · Physics 2007-05-23 A. Ya. Shul'man , D. V. Posvyanskii

In this manuscript, a fluid model is utilized to calculate the density of plasma species assuming geometrically symmetric Ar/CF4 Radiofrequency Capacitively Coupled Plasmas. The electrodes are driven by a sinusoidal waefront with an…

Plasma Physics · Physics 2023-03-28 M. G. Elsheikh , Y. Abdella , T. El-Ashram , W. M. Moslem , M. Shihab

When a cold atomic gas is illuminated by a quasi-resonant laser beam, light-induced dipole-dipole correlations make the scattering of light a cooperative process. Once a fluid description is adopted for the atoms, many scattering properties…

Optics · Physics 2013-10-23 N. Piovella , R. Bachelard , Ph. W. Courteille

We study Density Functional Theory models for systems which are translationally invariant in some directions, such as a homogeneous 2-d slab in the 3-d space. We show how the different terms of the energy are modified and we derive reduced…

Mathematical Physics · Physics 2021-12-24 David Gontier , Salma Lahbabi , Abdallah Maichine

There are many interesting physical processes which involve the generation of high density plasmas in large volumes. However, when modeling these systems numerically, the large densities and volumes present a significant computational…

Computational Physics · Physics 2007-05-23 A. E. Schulz , A. D. Greenwood , K. L. Cartwright , P. J. Mardahl

The thermodynamical properties of the photon-plasma system had been studied using statistical physics approach. Photons develop an effective mass in the medium thus -- as a result of the finite chemical potential -- a photon Bose-Einstein…

Statistical Mechanics · Physics 2020-04-22 Peter Mati

We analyze the obtained solutions of the non-linear Shroedinger equation for spherically and axially symmetrical electrons density oscillations in plasma. The conditions of the oscillations process existence are examined. It is shown that…

Plasma Physics · Physics 2009-07-31 Maxim Dvornikov , Sergey Dvornikov

The self consistent version of the density functional theory (DFT) is presented, which allows to calculate the ground state and dynamic properties of finite multi-electron systems such as atoms, molecules and clusters. The exact functional…

Condensed Matter · Physics 2007-05-23 M. Ya. Amusia , V. R. Shaginyan

We suggest to include the density of electron charge explicitly in the electron potential of density functional theory, rather than implicitly via exchange-correlation functionals. The advantages of the approach are conceptual and…

Materials Science · Physics 2007-05-23 Werner A. Hofer , Krisztian Palotas

We address the problem posed by the inhomogeneous trapping fields when using ultracold fermions to simulate strongly correlated electrons. As a starting point, we calculate the density of states for a single atom. Using semiclassical…

Statistical Mechanics · Physics 2007-05-23 C. Hooley , J. Quintanilla

We present a self-consistent approach to the modeling of dense plasma mixtures in local thermodynamic equilibrium. In each electron configuration the nucleus is totally screened by electrons in a Wigner-Seitz sphere (ion-sphere model).…

Solar and Stellar Astrophysics · Physics 2015-06-03 Jean-Christophe Pain , Gérard Dejonghe , Thomas Blenski

A multiscale QM/classical approach is presented, that is able to model the optical properties of complex nanostructures composed of a molecular system adsorbed on metal nanoparticles. The latter are described by a combined…

Chemical Physics · Physics 2024-10-29 Pablo Grobas Illobre , Piero Lafiosca , Luca Bonatti , Tommaso Giovannini , Chiara Cappelli

This paper introduces a novel approach for automated estimation of plasma temperature and density using emission spectroscopy, integrating Bayesian inference with sophisticated physical models. We provide an in-depth examination of Bayesian…

Plasma Physics · Physics 2023-12-21 Todd A. Oliver , Craig Michoski , Samuel Langendorf , Andrew LaJoie

An atom placed inside a cavity of finite dimension offers many interesting features, and thus has been a topic of great current activity. This work proposes a density functional approach to pursue both ground and excited states of a…

Quantum Physics · Physics 2022-05-20 Sangita Majumdar , Amlan K. Roy

The plasma-liquid interaction is an important issue in plasma technology. The simulation of discharge in spherical bubbles in the water that produced plasma-activated water (PAW) is investigated using finite element methods (FEM) for a…

Plasma Physics · Physics 2022-08-26 Niloofar Mohammadi Nahrani , Maryam Bahreini , Saeed Hasanpour Tadi

Presented here are calculations of the distortion of the density of an electron gas due to the electrostatic field of a proton. Several models based upon the local density approximation (LDA) of density functional theory [linear response…

chem-ph · Physics 2009-10-22 Gary G. Hoffman , Lawrence R. Pratt

Self-consistent-field (SCF) approximations formulated using Hartree-Fock (HF) or Kohn-Sham Density Functional Theory (KS-DFT) both have the potential to yield multiple solutions. However, the formal relationship between multiple solutions…

Chemical Physics · Physics 2021-01-06 Rhiannon A. Zarotiadis , Hugh G. A. Burton , Alex J. W. Thom

We present optical Thomson scattering measurements of electron density and temperature in a large-scale (~2 cm) exploding laser plasma produced by irradiating a solid target with a high energy (5-10 J) laser pulse at high repetition rate (1…

Accurately measuring the masses of white dwarf stars is crucial in many astrophysical contexts (e.g., asteroseismology and cosmochronology). These masses are most commonly determined by fitting a model atmosphere to an observed spectrum;…

Solar and Stellar Astrophysics · Physics 2016-10-10 T. A. Gomez , M. H. Montgomery , T. Nagayama , D. P. Kilcrease , D. E. Winget
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