Related papers: Current density operator in systems with non-parab…
The selection of basic variables in current-density functional theory and formal properties of the resulting formulations are critically examined. Focus is placed on the extent to which the Hohenberg--Kohn theorem, constrained-search…
By refining the method proposed in arXiv:2010.07660, entropy current and entropy density for a relativistic hydrostatic equilibrium system with spherical symmetry are constructed as a non-Noether conserved charge in the Einstein gravity…
The Hohenberg-Kohn theorem, a cornerstone of electronic density functional theory, concerns uniqueness of external potentials yielding given ground densities of an ${\mathcal N}$-body system. The problem is rigorously explored in a universe…
We present some model calculations of persistent currents in disordered one- and two-dimensional mesoscopic systems. We use the tight-binding model and calculate numerically the currents in small systems for several values of disorder. Next…
We describe how density-functional theory, well-known for its many uses in ab initio calculations of electronic structure, can be used to study the ground state of inhomogeneous model Hamiltonians. The basic ideas and concepts are discussed…
We will review some known exact solutions for the steady state of the open quantum Heisenberg $XXZ$ spin chain coupled to a pair of baths [Phys. Rev. Lett. 107, 137201 (2011).]. The dynamics is modelled by the Lindblad master equation. We…
Based on a microcanonical picture that maps the steady-state quantum transport process to a drain-to-source excitation, we develop a constrained-search density functional formalism for finite-bias quantum transport calculations. By…
It is widely believed that statistical interpretation of quantum mechanics requires that density operators representing quantum states be normalized. We present a description of selective measurements in terms of density operators. The…
The flexoelectric effect refers to polarization induced in an insulator when a strain gradient is applied. We have developed a first-principles methodology based on density-functional perturbation theory to calculate the elements of the…
We propose a model describing the evolution of the free electron current density in graphene. Based on the concept of Mp-branes, we perform the analysis using the difference between curvatures of parallel and antiparallel spins. In such a…
The effective electromagnetic current density for a two-nucleon system that is described by the Blankenbecler-Sugar equation is derived. In addition to the single nucleon currents there are exchange currents of two different origins. The…
Energy spectra of quasi-one-dimensional quantum rings with a few electrons are studied using several different theoretical methods. Discrete Hubbard models and continuum models are shown to give similar results governed by the special…
We investigate the density large deviation function for a multidimensional conservation law in the vanishing viscosity limit, when the probability concentrates on weak solutions of a hyperbolic conservation law conservation law. When the…
Fast and accurate resolution of electromagnetic problems via the \ac{BEM} is oftentimes challenged by conditioning issues occurring in three distinct regimes: (i) when the frequency decreases and the discretization density remains constant,…
Based on a recent proof of free choices in linking equations to the experiments they describe, I clarify relations among some purely mathematical entities featured in quantum mechanics (probabilities, density operators, partial traces, and…
We demonstrate the existence of different density-density functionals designed to retain selected properties of the many-body ground state in a non-interacting solution starting from the standard density functional theory ground state. We…
We present an overview of electronic device modeling using non-equilibrium Green function techniques. The basic approach developed in the early 1970s has become increasingly popular during the last 10 years. The rise in popularity was…
A first-principles approach to describe electron dynamics in open quantum systems driven far from equilibrium via external time-dependent stimuli is introduced. Within this approach, the driven Liouville von Neumann methodology is used to…
We show, using a tight-binding model and time-dependent density-functional theory, that a quasi-steady state current can be established dynamically in a finite nanoscale junction without any inelastic effects. This is simply due to the…
An original method to exactly solve the non-Markovian Master Equation describing the interaction of a single harmonic oscillator with a quantum environment in the weak coupling limit is reported. By using a superoperatorial approach we…