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The inverse problem of Kohn-Sham density functional theory (DFT) is often solved in an effort to benchmark and design approximate exchange-correlation potentials. The forward and inverse problems of DFT rely on the same equations but the…

Chemical Physics · Physics 2017-08-02 Daniel Jensen , Adam Wasserman

Due to random dopant fluctuations, the device-to-device variability is a serious challenge to emerging nanoelectronics. In this work we present theoretical formalisms and numerical simulations of quantum transport variability, based on the…

Mesoscale and Nanoscale Physics · Physics 2013-11-14 Yu Zhu , Lei Liu , Hong Guo

This study investigates the interplay between a high-frequency external forcing and the intrinsic dynamics of a quantum nonlinear parametric oscillator. To analyze this system, classical equations of motion of the averages of quantum…

Chaotic Dynamics · Physics 2025-05-05 Somnath Roy , Chitrak Bhadra , Dhrubajyoti Biswas

Starting from a general classical model of many interacting particles we present a well defined step by step procedure to derive the continuum-mechanics equations of nonlinear elasticity theory with fluctuations which describe the…

Statistical Mechanics · Physics 2022-06-02 Rudolf Haussmann

The famous Johnson-Nyquist formula relating noise current to conductance has a microscopic generalization relating noise current density to microscopic conductivity, with corollary relations governing noise in the components of the…

Computational Physics · Physics 2013-08-27 M. T. Homer Reid , Alejandro W. Rodriguez , Steven G. Johnson

At low temperatures and strong friction the time evolution of the density distribution in position follows a quantum Smoluchowski equation. Recently, also higher-order contributions of quantum fluctuations to drift and diffusion…

Statistical Mechanics · Physics 2015-03-17 Stefan A. Maier , Joachim Ankerhold

We address the dynamics of damped collective modes in terms of first and second moments. The modes are introduced in a self-consistent fashion with the help of a suitable application of linear response theory. Quantum effects in the…

Nuclear Theory · Physics 2007-05-23 H. Hofmann , D. Kiderlen

The counterintuitive emergence of order from noise is a central phenomenon in science, ranging from pattern formation and synchronization to order-by-disorder in frustrated systems. While large-scale spatial self-organization induced by…

Soft Condensed Matter · Physics 2026-02-02 Satyam Anand , Guanming Zhang , Stefano Martiniani

We discuss fluctuating order in a quantum disordered phase proximate to a quantum critical point, with particular emphasis on fluctuating stripe order. Optimal strategies for extracting information concerning such local order from…

Strongly Correlated Electrons · Physics 2009-11-07 S. A. Kivelson , E. Fradkin , V. Oganesyan , I. P. Bindloss , J. M. Tranquada , A. Kapitulnik , C. Howald

In this chapter, we provide a review of ground-state Kohn-Sham density-functional theory of electronic systems and some of its extensions, we present exact expressions and constraints for the exchange and correlation density functionals,…

Chemical Physics · Physics 2022-09-12 Julien Toulouse

We write equations of motion for density variables that are equivalent to Newtons equations. We then propose a set of trial equations parameterised by two unknown functions to describe the exact equations. These are chosen to best fit the…

Soft Condensed Matter · Physics 2009-11-07 E. Zaccarelli , G. Foffi , P. De Gregorio , F. Sciortino , P. Tartaglia , K. A. Dawson

In this work we focus on a recently introduced method [1] to construct the external potential $v$ that, for a given initial state, produces a prescribed time-dependent density in an interacting quantum many-body system. We show how this…

Quantum Physics · Physics 2014-12-12 S. E. B. Nielsen , M. Ruggenthaler , R. van Leeuwen

Density functional theory (DFT) provides convenient electronic structure methods for the study of molecular systems and materials. Regular Kohn-Sham DFT calculations rely on unitary transformations to determine the ground-state electronic…

Chemical Physics · Physics 2022-10-10 Greta Jacobson , Juan M. Marmolejo-Tejada , Martín A. Mosquera

Time-dependent density functional theory (TDDFT) is rapidly emerging as a premier method for solving dynamical many-body problems in physics and chemistry. The mathematical foundations of TDDFT are established through the formal existence…

Quantum Physics · Physics 2014-08-22 J. D. Whitfield , M. -H. Yung , D. G. Tempel , S. Boixo , A. Aspuru-Guzik

We present a field-theory description of ultracold bosonic atoms in presence of a disordered external potential. By means of functional integration techniques, we aim to investigate and review the interplay between disordered energy…

Quantum Gases · Physics 2019-06-18 Alberto Cappellaro , Luca Salasnich

In the last three decades, Numerical Stochastic Perturbation Theory (NSPT) has proven to be an excellent tool for calculating perturbative expansions in theories such as Lattice QCD, for which standard, diagrammatic perturbation theory is…

High Energy Physics - Lattice · Physics 2025-02-05 P. Baglioni , F. Di Renzo

We study kinks in the electronic dispersion of a generic strongly correlated system by dynamic mean-field theory (DMFT). The focus is on doped systems away from particle-hole symmetry where valence fluctuations matter potentially. Three…

Strongly Correlated Electrons · Physics 2015-03-19 Patrick Grete , Sebastian Schmitt , Carsten Raas , Frithjof B. Anders , Götz S. Uhrig

The density functional theory is extended to account for self-bound systems. To this end the Hohenberg-Kohn theorem is formulated for the intrinsic density and a Kohn-Sham like procedure for an $N$--body system is derived using the…

Nuclear Theory · Physics 2008-11-26 Nir Barnea

We formulate a semiclassical theory for electron transport in open quantum systems with electron-phonon interactions adequate for situations when the system's phonon dynamics is comparable with the electron transport timescale. Starting…

Mesoscale and Nanoscale Physics · Physics 2025-08-26 Maicol A. Ochoa

We propose a novel scheme to bring reduced density matrix functional theory (RDMFT) into the realm of density functional theory (DFT) that preserves the accurate density functional description at equilibrium, while incorporating accurately…

Chemical Physics · Physics 2014-11-07 Nektarios N. Lathiotakis , Nicole Helbig , Angel Rubio , Nikitas I. Gidopoulos