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We explore a new formalism to study the nonlinear electronic density response based on Kohn-Sham density functional theory (KS-DFT) at partially and strongly quantum degenerate regimes. It is demonstrated that the KS-DFT calculations are…

Plasma Physics · Physics 2022-05-10 Zhandos Moldabekov , Jan Vorberger , Tobias Dornheim

The transport of biomolecules, drugs, or reactants encapsulated inside stimuli-responsive polymer networks in aqueous media is fundamental for many material and environmental science applications, including drug delivery, biosensing,…

Controlling the decoherence induced by the interaction of quantum system with its environment is a fundamental challenge in quantum technology. Utilizing Floquet theory, we explore the constructive role of temporal periodic driving in…

Quantum Physics · Physics 2015-05-28 Chong Chen , Jun-Hong An , Hong-Gang Luo , C. P. Sun , C. H. Oh

The adiabatic approximation in time-dependent density functional theory (TDDFT) is known to give an incorrect pole structure in the quadratic response function, leading to unphysical divergences in excited state-to-state transition…

Chemical Physics · Physics 2023-05-01 Davood Dar , Saswata Roy , Neepa T. Maitra

This paper investigates the decentralized stabilization problem for a class of interconnected systems in the presence of non-triangular structural uncertainties and time-varying parameters, where each subsystem exchanges information only…

Systems and Control · Electrical Eng. & Systems 2022-08-02 Libei Sun , Xiucai Huang , Yongduan Song

Warm dense matter (WMD) describes an intermediate phase, between condensed matter and classical plasmas, found in natural and man-made systems. In a laboratory setting, WDM needs to be created dynamically. It is typically laser or…

Plasma Physics · Physics 2022-03-14 Alexander J. White , Lee A. Collins , Katarina Nichols , S. X. Hu

Time delayed feedback control is one of the most successful methods to discover dynamically unstable features of a dynamical system in an experiment. This approach feeds back only terms that depend on the difference between the current…

Dynamical Systems · Mathematics 2016-04-26 Jan Sieber

Time-dependent density-functional theory (TDDFT) treats dynamical exchange and correlation (xc) via a single-particle potential, Vxc(r,t), defined as a nonlocal functional of the density n(r',t'). The popular adiabatic local-density…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 C. A. Ullrich , I. V. Tokatly

Imaginary-time time-dependent Density functional theory (it-TDDFT) has been proposed as an alternative method for obtaining the ground state within density functional theory (DFT) which avoids some of the difficulties with convergence…

Computational Physics · Physics 2021-11-09 John McFarland , Efstratios Manousakis

Exchange interactions are a manifestation of the quantum mechanical nature of the electrons and play a key role in predicting the properties of materials from first principles. In density functional theory (DFT), a widely used approximation…

Materials Science · Physics 2020-03-27 Marco Bernardi

A collective flashing ratchet transports Brownian particles using a spatially periodic, asymmetric, and time-dependent on-off switchable potential. The net current of the particles in this system can be substantially increased by feedback…

Machine Learning · Computer Science 2021-04-14 Dong-Kyum Kim , Hawoong Jeong

Diffusion is a dissipative transport phenomenon ubiquitously present in nature. Its details can now be analysed with modern effective field theory (EFT) techniques that use the closed-time-path (or Schwinger-Keldysh) formalism. We discuss…

High Energy Physics - Theory · Physics 2024-10-03 Sašo Grozdanov , Timotej Lemut , Jaka Pelaič , Alexander Soloviev

We investigate the time-dependent, coherent, and dissipative dynamics of bound particles in single multilevel quantum dots in the presence of sequential tunnelling transport. We focus on the nonequilibrium regime where several channels are…

Mesoscale and Nanoscale Physics · Physics 2010-02-11 Eduardo Vaz , Jordan Kyriakidis

The single-impurity Anderson model is studied within the i-DFT framework, a recently proposed extension of density functional theory (DFT) for the description of electron transport in the steady state. i-DFT is designed to give both the…

Strongly Correlated Electrons · Physics 2017-01-11 S. Kurth , G. Stefanucci

Practical density functional theory (DFT) owes its success to the groundbreaking work of Kohn and Sham that introduced the exact calculation of the non-interacting kinetic energy of the electrons using an auxiliary mean-field system.…

Chemical Physics · Physics 2023-11-17 P. del Mazo-Sevillano , J. Hermann

While the vast majority of calculations reported on molecular conductance have been based on the static non-equilibrium Green's function formalism combined with density functional theory, in recent years a few time-depedent approaches to…

We showcase the advantages of orbital-free density-potential functional theory (DPFT), a more flexible variant of Hohenberg-Kohn density functional theory. DPFT resolves the usual trouble with the gradient-expanded kinetic energy functional…

Quantum Gases · Physics 2021-06-16 Martin-Isbjörn Trappe , Jun Hao Hue , Berthold-Georg Englert

We study transportation networks controlled by dynamical feedback tolls. We consider a multiscale transportation network model whereby the dynamics of the traffic flows are intertwined with those of the drivers' route choices. The latter…

Optimization and Control · Mathematics 2019-01-30 Rosario Maggistro , Giacomo Como

A bottleneck situation in one-lane traffic-flow is typically modelled with a constant demand of entering cars. However, in practice this demand may depend on the density of cars in the bottleneck. The present paper studies a simple bimodal…

Statistical Mechanics · Physics 2016-11-26 Marko Woelki

We report density-functional theory (DFT), atomistic simulations of the non-equilibrium transport properties of carbon nanotube (CNT) field-effect transistors (FETs). Results have been obtained within a self-consistent approach based on the…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 L. Latessa , A. Pecchia , A. Di Carlo
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