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A new reference state for density functional theory, termed the independent atom ansatz, is introduced in this work. This ansatz allows for the exact representation of electron density in terms of non-interacting, atom-localized orbitals.…

Chemical Physics · Physics 2024-05-03 Alexander V. Mironenko

Time-dependent density functional theory, proposed recently in the context of atomic diffusion and non-equilibrium processes in solids, is tested against Monte Carlo simulation. In order to assess the basic approximation of that theory, the…

Statistical Mechanics · Physics 2009-11-07 M. Kessler , W. Dieterich , H. L. Frisch , J. F. Gouyet , P. Maass

The ground state energy of the two--dimensional uniform electron gas has been calculated with fixed--node diffusion Monte Carlo, including backflow correlations, for a wide range of electron densities as a function of spin polarization. We…

Strongly Correlated Electrons · Physics 2009-11-07 Claudio Attaccalite , Saverio Moroni , Paola Gori-Giorgi , Giovanni B. Bachelet

We consider the singular electron-electron interaction corrections to the transport coefficients in disordered metals to test the validity of the Wiedemann-Franz law. We develop a local, quantum kinetic equation approach in which the charge…

Disordered Systems and Neural Networks · Physics 2008-09-25 G. Catelani , I. L. Aleiner

A kinetic theory model is developed for positron-impact ionization (PII) with neutral, rarefied gases. Particular attention is given to the sharing of available energy between the post-ionization constituents. A simple model for the…

Plasma Physics · Physics 2016-03-02 G. J. Boyle , W. J. Tattersall , D. G. Cocks , S. Dujko , R. D. White

We have performed hybrid kinetic-fluid simulations of a positive column in AC Argon discharges over a range of driving frequencies f and gas pressure p for the conditions when the spatial nonlocality of the Electron Energy Distribution…

Plasma Physics · Physics 2023-06-06 Nathan A Humphrey , Vladimir I Kolobov

The grand potential $\Omega$ and the response $R = - \partial \Omega /\partial x$ of a phase-coherent confined noninteracting electron gas depend sensitively on chemical potential $\mu$ or external parameter $x$. We compute their…

Mesoscale and Nanoscale Physics · Physics 2009-10-31 P. Leboeuf , A. Monastra

Kinetic theory of nonlinear current response to an external field is developed for mesoscopic normal metal rings threaded by a magnetic flux. General expressions for direct current (DC) are derived for a non-equilibrium regime. These…

Mesoscale and Nanoscale Physics · Physics 2009-11-07 V. I. Yudson , V. E. Kravtsov

Particle-particle correlation functions in ionic systems control many of their macroscopic properties. In this work, we use stochastic density functional theory to compute these correlations, and then we analyze their long-range behavior.…

Statistical Mechanics · Physics 2025-02-05 Haggai Bonneau , Vincent Démery , Elie Raphaël

An original approach is suggested to analysis of full quantum Liouville equation for single electron (quantum particle) interacting with ideal phonon gas (harmonic boson thermostat). It is shown that under the thermodynamic limit this…

Statistical Mechanics · Physics 2011-07-19 Yu. E. Kuzovlev

A Generalized Kinetic Theory was proposed in order to have the possibility to treat particles which obey a very general statistics. By adopting the same approach, we generalize here the Kinetic Theory of electrons and phonons. Equilibrium…

Mathematical Physics · Physics 2015-06-26 A. Rossani

This paper studies the coherent acceleration of ions interacting with two electrostatic waves in a uniform magnetic field B0. This is a generalization of an earlier analysis of waves propagating perpendicularly to B0 to include the effect…

Plasma Physics · Physics 2009-11-10 D. J. Strozzi , A. K. Ram , A. Bers

The non-equilibrium dynamics of electrons is of a great experimental and theoretical value providing important microscopic parameters of the Coulomb and electron-phonon interactions in metals and other cold plasmas. Because of the…

Superconductivity · Physics 2008-11-19 V. V. Kabanov , A. S. Alexandrov

We present a general method based on nonlinear response theory to obtain effective interactions between ions in an electron gas which can also be applied to other systems where an adiabatic separation of time-scales is possible. Nonlinear…

Materials Science · Physics 2007-10-05 Simon Gravel , N. W. Ashcroft

A general expression for the cross sections of inelastic collisions of fast (including relativistic) multicharged ions with atoms which is based on the genelazition of the eikonal approximation is derived. This expression is applicable for…

Atomic Physics · Physics 2009-10-31 V. I. Matveev , Kh. Yu. Rakhimov , D. U. Matrasulov

The exchange-correlation hole and potential of the homogeneous electron gas have been investigated within the random-phase approximation, employing the plasmon-pole approximation for the linear density response function. The angular…

Strongly Correlated Electrons · Physics 2023-04-12 K. Karlsson , F. Aryasetiawan

Thermodynamic quantities of Coulomb plasmas consisting of point-like ions immersed in a compressible, polarizable electron background are calculated for ion charges Z=1 to 26 and for a wide domain of plasma parameters ranging from the…

Plasma Physics · Physics 2016-09-08 G. Chabrier , A. Y. Potekhin

A dynamical generalisation of the nonlocal coherent-potential approximation is derived based upon the functional integral approach to the interacting electron problem. The free energy is proven to be variational with respect to the…

Strongly Correlated Electrons · Physics 2014-11-25 D. A. Rowlands , Yu-Zhong Zhang

An insight into bispinor analysis makes it possible to describe the electron in selfaction as a fundamental steady state. The electromagnetic theory, and the Dirac equation for the study of an electron in presence of external potentials,…

Quantum Physics · Physics 2011-11-09 Yair Goldin

Correlated anion and cation motion can significantly reduce the overall ion conductivity in electrolytes versus the ideal conductivity calculated based on the diffusion constants alone. Using coarse-grained molecular dynamics simulations,…

Soft Condensed Matter · Physics 2020-06-01 Kuan-Hsuan Shen , Lisa M. Hall