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A new method to obtain a local parameterization for the exchange term in the many--body electronic problem is presented. The approach amounts to the introduction of a coordinate dependent electron effective mass. Numerical results for…

chem-ph · Physics 2009-10-28 Aurel Bulgac , Caio Lewenkopf , Vadim Mickrjukov

The exact-exchange (EXX) potential, which is obtained by solving the optimized-effective potential (OEP) equation, is compared to various approximate semilocal exchange potentials for a set of selected solids (C, Si, BN, MgO, Cu$_{2}$O, and…

Strongly Correlated Electrons · Physics 2016-08-07 Fabien Tran , Markus Betzinger , Peter Blaha , Stefan Blügel

We present a first principles supercell methodology for the calculation of exchange interactions of magnetic materials with arbitrary degrees of structural and chemical disorder in their high temperature paramagnetic state. It is based on a…

Materials Science · Physics 2015-06-16 A. Lindmaa , R. Lizárraga , E. Holmström , I. A. Abrikosov , B. Alling

We propose an analytical model based on diffusion-reaction equation approach for electrochemical electron transfer reaction, where the rate is limited by the electron transfer process. The electron transfer from an ion in solution to the…

Other Condensed Matter · Physics 2015-05-29 Aniruddha Chakraborty

Electron assisted neutron exchange process in solid state environment is investigated. It is shown that if a metal is irradiated with free electrons then the $e+$ $_{Z}^{A_{1}}X+$ $_{Z}^{A_{2}}X\rightarrow e^{\prime }+$ $%_{Z}^{A_{1}-1}X+$…

General Physics · Physics 2017-01-25 Péter Kálmán , Tamás Keszthelyi

A functional $E_{xc}[\rho(\r,\epsilon)]$ is presented, in which the exchange and correlation energy of an electron gas depends on the local density of occupied states. A simple local parametrization scheme is proposed, entirely from first…

Materials Science · Physics 2009-11-10 Jose M. Soler

As energy markets begin clearing at sub-hourly rates, their interaction with load control systems becomes a potentially important consideration. A simple model for the control of thermal systems using market-based power distribution…

Chaotic Dynamics · Physics 2008-12-02 Nicolas Ho , David P. Chassin

An exchange-correlation energy functional $ E_{\mathrm xc} $ and the resultant exchange-correlation potential $ v_{\mathrm xc}({\bf r}) $ in density-functional theory are proposed using orbital-dependent coupling-constant-averaged pair…

Strongly Correlated Electrons · Physics 2007-05-23 Hiroshi Yasuhara , Masahiko Higuchi , Yoshiyuki Kawazoe

We extend replica exchange simulation in two ways, and apply our approaches to biomolecules. The first generalization permits exchange simulation between models of differing resolution -- i.e., between detailed and coarse-grained models.…

Biomolecules · Quantitative Biology 2009-11-11 Edward Lyman , F. Marty Ytreberg , Daniel M. Zuckerman

We formulate thermodynamics of economic systems in terms of an arbitrary probability distribution for a conserved economic quantity. As in statistical physics, thermodynamic macroeconomic variables emerge as the mean value of microeconomic…

Statistical Finance · Quantitative Finance 2011-05-26 H. Quevedo , M. N. Quevedo

It is shown that the equation of motion of the one-particle Green function of an interacting many-electron system is governed by a multiplicative time-dependent exchange-correlation potential, which is the Coulomb potential of a…

Strongly Correlated Electrons · Physics 2022-02-16 Ferdi Aryasetiawan

An exchange energy functional is proposed and tested for obtaining a class of excited-state energies using density functional formalism. The functional is the excited-state counterpart of the local-density approximation functional for the…

Materials Science · Physics 2007-05-23 Prasanjit Samal , Manoj K. Harbola

In this paper the general principles and categories of mixed economy that currently exist in almost all countries of the world are presented. The paper also presents an Advanced Model of Mixed Economy with Threshold (AMMET), which is…

General Finance · Quantitative Finance 2020-04-29 Ion Spanulescu , Anca Gheorghiu

We look at the meaning of 'relaxation' in the wealth exchange models that are recently proposed in Econophysics to interpret the wealth distributions. To quantify and characterise the process of relaxation, we define an appropriate quantity…

General Finance · Quantitative Finance 2008-12-02 Abhijit KarGupta

In this paper we present a simple model for computing single electron exchange between light nuclei. The electronic capture is pictured as a tunnelling process in a model potential. This allows to analytically compute the transmission…

Atomic Physics · Physics 2007-05-23 Fabio Sattin

An axiomatic approach to macroeconomics based on the mathematical structure of thermodynamics is presented. It deduces relations between aggregate properties of an economy, concerning quantities and flows of goods and money, prices and the…

General Economics · Economics 2025-06-18 N. J. Chater , R. S. MacKay

Electronic correlation is a fundamental topic in many-electron systems. To characterize this correlation, one may introduce the concept of exchange-correlation hole. In this paper, we first briefly revisit its definition and relation to…

Chemical Physics · Physics 2024-01-15 JingChun Wang , Yu Su , Haoyang Cheng , Yao Wang , Rui-Xue Xu

This paper focus on pricing exchange option based on copulas by MCMC algorithm. Initially, we introduce the methodologies concerned about risk-netural pricing, copulas and MCMC algorithm. After the basic knowledge, we compare the option…

Mathematical Finance · Quantitative Finance 2021-07-22 Wen Su

Hydrogen produced through electrolysis with renewable power is considered key to decarbonize several hard-to-electrify sectors. This work proposes a novel approach to model the active electricity market participation of co-located renewable…

Optimization and Control · Mathematics 2025-07-03 Andrea Gloppen Johnsen , Lesia Mitridati , Jalal Kazempour , Line Roald

We extend the Exchange Fluctuation Theorem for energy exchange between thermal quantum systems beyond the assumption of molecular chaos, and describe the non-equilibrium exchange dynamics of correlated quantum states. The relation…

Quantum Physics · Physics 2015-10-14 Sania Jevtic , David Jennings , Terry Rudolph , Yuji Hirono , Shojun Nakayama , Mio Murao
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