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This article is part-I of a review of density-functional theory (DFT) that is the most widely used method for calculating electronic structure of materials. The accuracy and ease of numerical implementation of DFT methods has resulted in…

Materials Science · Physics 2023-05-25 Prashant Singh , Manoj K Harbola

The plasma density grating induced by intersecting intense laser pulses can be utilized as an optical compressors, polarizers, waveplates and photonic crystals for the manipulation of ultra-high-power laser pulses. However, the formation…

Plasma Physics · Physics 2020-07-30 H. H. Ma , S. M. Weng , P. Li , X. F. Li , Y. X. Wang , S. H. Yew , M. Chen , P. McKenna , Z. M. Sheng

Kohn-Sham density functional theory calculations using conventional diagonalization based methods become increasingly expensive as temperature increases due to the need to compute increasing numbers of partially occupied states. We present…

Chemical Physics · Physics 2022-03-23 Qimen Xu , Xin Jing , Boqin Zhang , John E. Pask , Phanish Suryanarayana

Here is presented the calculation of the dynamic electrical conductivity of fully ionized, strongly coupled plasmas as a function of the external electric field frequency $\omega$. The calculations are based on the the formula for the…

Plasma Physics · Physics 2012-08-14 V. A. Sreckovic , V. M. Adamyan , Lj. M. Ignjatovic , A. A. Mihajlov

We consider the quantum field theory for a scalar model of the electromagnetic field interacting with a system of two-level atoms. In this setting, we show that it is possible to uniquely determine the density of atoms from measurements of…

Analysis of PDEs · Mathematics 2026-02-03 Matti Lassas , Medet Nursultanov , Lauri Oksanen , John C. Schotland

Density functional theory is currently the most widely applied method in electronic structure theory. The Kohn-Sham method, based on a fictitious system of non-interacting particles, is the work horse of the theory. The particular form of…

Chemical Physics · Physics 2016-06-01 Hubertus J J van Dam

Methods exhibiting linear scaling with respect to the size of the system, so called O(N) methods, are an essential tool for the calculation of the electronic structure of large systems containing many atoms. They are based on algorithms…

Condensed Matter · Physics 2007-05-23 Stefan Goedecker

The density functional scheme for calculating the pair density is presented by means of the constrained-search technique. The resultant single-particle equation takes the form of the modified Hartree-Fock equation which contains the kinetic…

Strongly Correlated Electrons · Physics 2015-06-25 Masahiko Higuchi , Katsuhiko Higuchi

The opportunities of the application of the recently proposed approach in optical emission spectroscopy of non-equilibrium plasmas have been studied. The approach consists of several methods of the determination of {\em absolute} particle…

Plasma Physics · Physics 2007-05-23 B. P. Lavrov , A. S. Mikhailov

Technology for forming stable states of dense high temperature plasma, which can be used, for example, for controlled thermo-nuclear synthesis.

General Physics · Physics 2008-04-16 S. I. Fisenko , I. S. Fisenko

We introduce a new approach to density functional theory based on kinetic theory, showing that the Kohn-Sham equations can be derived as a macroscopic limit of a suitable Boltzmann kinetic equation in the limit of small mean free path…

Chemical Physics · Physics 2015-06-15 M. Mendoza , S. Succi , H. J. Herrmann

Calculating opacities for a wide range of plasma conditions (i.e. temperature, density, element) requires detailed knowledge of the plasma configuration space and electronic structure. For plasmas composed of heavier elements, relativistic…

Plasma Physics · Physics 2023-05-02 Nathanael Gill , Christopher Fontes , Charles Starrett

We study $e^{\pm}$ pair plasmas in pair equilibrium, which emit high energy radiation by thermal Comptonization of soft photons. We find that the maximum luminosity to size ratio of the source (i.e. the compactness) depends not only on the…

Astrophysics · Physics 2009-10-22 Gabriele Ghisellini , Francesco Haardt

We investigate the quantum optical properties of a single photon emitter coupled to a finite-size metal nanoparticle using a photon Green function technique that rigorously quantizes the electromagnetic fields. We first obtain pronounced…

Mesoscale and Nanoscale Physics · Physics 2012-02-07 C. Van Vlack , Philip Trøst Kristensen , S. Hughes

Relativistic plasma with radiation at thermodynamic equilibrium is ageneral system of interest in astrophysics and high energy physics. We develop a new self-consistent quasi-particle model for such a system to take account of collective…

High Energy Physics - Phenomenology · Physics 2009-11-11 Vishnu M. Bannur

We have made self-consistent models of the density and temperature profiles of the gas and dust surrounding embedded luminous objects using a detailed radiative transfer model together with observations of the spectral energy distribution…

Astrophysics · Physics 2009-11-10 H. Nomura , T. J. Millar

A generalization of the Kohn--Sham approach is derived where the correlation-energy functional depends on the one-particle density matrix of noninteracting states and on the external potential from the interacting target-state. The…

Chemical Physics · Physics 2007-05-23 James P. Finley

We consider the collective scattering by a cloud of $N$ two-level atoms driven by an uniform radiation field. Dense atomic clouds can be described by a continuous density and the problem reduces to deriving the spectrum of the atom-atom…

Optics · Physics 2015-03-31 Romain Bachelard , Nicola Piovella , Philippe Courteille

A general formalism for the treatment of density fluctuations in Coulomb plasmas is presented and applied to the treatment of temperature relaxation in multi-component quantum plasmas when the separate components (electrons and ions) relax…

Plasma Physics · Physics 2015-10-06 Basil Crowley

We present a rigorous formulation of generalized Kohn-Sham density-functional theory. This provides a straightforward Kohn-Sham description of many-body systems based not only on particle-density but also on any other observable. We…

Strongly Correlated Electrons · Physics 2008-02-03 M. Valiev , G. W. Fernando