Related papers: Thomas-Fermi generalized approach for studying sys…
A comprehensive description of molecular electron transfer reactions is essential for our understanding of fundamental phenomena in bio-energetics and molecular electronics. Experimental studies of molecular systems in condensed-phase…
We introduce a novel computational approach for the investigation of complex correlated electron materials which makes it possible to evaluate interatomic forces and thereby determine atomic displacements and structural transformations…
Analyzing general structure of the Green function of a strongly correlated electron system we have shown that for the regime of strong correlations Luttinger's theorem should be generalized in the following way: the volume of the Fermi…
We present a temperature-dependent extension of the approximate electronic conductivity formula of Hindley and Mott that leverages time-averaged fluctuations of the electronic density of states obtained from ab initio molecular dynamics. By…
An effective field approximation, similar to the atomic Thomas-Fermi approach, is proposed for studying non-Abelian gauge theories which includes finite-volume effects. As applications of the formalism the equation of state for an SU(2)…
Time-dependent density-functional theory (TDDFT) is a powerful tool to study the non-equilibrium dynamics of inhomogeneous interacting many-body systems. Here we show that the simple adiabatic local-spin-density approximation for the…
The purpose of this note is to give an elementary derivation of a lower bound on the relativistic Thomas-Fermi-Weizs\"acker-Dirac functional of Thomas-Fermi type and to apply it to get an upper bound on the excess charge of this model.
Ultrafast optical excitation of metals induces a non-equilibrium energy distribution in the electronic system, with a characteristic step-structure determined by Pauli blocking. On a femtosecond timescale, electron-electron scattering…
We present a detailed derivation and numerical tests of a new mixed quantum-classical scheme to deal with non-adiabatic processes. The method is presented as the zero-th order approximation to the exact coupled dynamics of electrons and…
In order to assess the accuracy of commonly used approximate exchange-correlation density functionals, we present a comparison of accurate exchange and correlation potentials, exchange energy densities and energy components with the…
We investigate the effect of strong electronic correlation on the massless Dirac fermion system, $\alpha$-(BEDT-TTF)$_2$I$_3$, under pressure. In this organic salt, one can control the electronic correlation by changing pressure and access…
We apply the statistical measure of complexity, introduced by L\'{o}pez-Ruiz, Mancini and Calbet (LMC), to uniform Fermi systems. We investigate the connection between information and complexity measures with the strongly correlated…
We examine electron-electron mediated relaxation following excitation of a correlated system by an ultrafast electric field pump pulse. The results reveal a dichotomy in the temporal evolution as one tunes through a Mott metal-to-insulator…
This letter highlights the entropy exchange phenomenon in a coupled binary inter-correlating system following Haldane's non-linear statistical correlation. A unique coupling between a classical and a quantum-like system at the marginal…
We present a modified Thomas-Fermi theory that describes the increase of the hyperfine coupling constants of endohedrally enclosed atoms. We use the March boundary conditions corresponding to a positively charged spherical shell surrounding…
A novel method to determine the density and temperature of a system based on quantum Fermionic fluctuations is generalized to the limit where the reached temperature T is large compared to the Fermi energy {\epsilon}f . Quadrupole and…
This paper presents a simple, general technique to prove finite element method (FEM) pressure stability and convergence. Typically, pressure estimates are ignored in the literature. However, full reliability of a numerical method is not…
A universal energy eigenvalue equation is proposed in this paper. It is proven that the unique set of eigenfunctions or preferred basis exists for any non-isolated sub-system. Applying the new eigenvalue equation to the relative motion of a…
Nonlinear thermoelastic systems play a crucial role in understanding thermal conductivity, stresses, elasticity, and temperature interactions. This research focuses on finding solutions to these systems in their fractional forms, which is a…
By solving the exact master equation of open quantum systems, we formulate the quantum thermodynamics from weak to strong couplings. The open quantum systems exchange matters, energies and information with their reservoirs through quantum…