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The real-time electronic dynamics on material surfaces is critically important to a variety of applications. However, their simulations have remained challenging for conventional methods such as the time-dependent density-functional theory…

Chemical Physics · Physics 2015-06-16 Rulin Wang , Dong Hou , Xiao Zheng

A theoretical approach for a non-perturbative dynamical description of two interacting atoms in an optical lattice potential is introduced. The approach builds upon the stationary eigenstates found by a procedure described in Grishkevich et…

Quantum Gases · Physics 2015-06-11 Philipp-Immanuel Schneider , Sergey Grishkevich , Alejandro Saenz

Density functional theory together with the Kohn-Sham scheme represent an efficient framework to recover the ground state density and energy of a many-body quantum system from an auxiliary ``non-interacting'' system (one-body with a local…

Quantum Physics · Physics 2021-05-18 Jérémie Messud

The key questions of uniqueness and existence in time-dependent density functional theory are usually formulated only for potentials and densities that are analytic in time. Simple examples, standard in quantum mechanics, lead however to…

Materials Science · Physics 2015-05-14 Neepa T. Maitra , Tchavdar N. Todorov , Chris Woodward , Kieron Burke

We present a local control scheme 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. The numerical method is efficient and stable…

Strongly Correlated Electrons · Physics 2013-02-14 S. E. B. Nielsen , M. Ruggenthaler , R. van Leeuwen

By minimizing the difference between the left- and the right-hand sides of the many-body time-dependent Schr\"{o}dinger equation with the Slater-determinant wave-function, we derive a non-adiabatic and self-interaction free time-dependent…

Quantum Physics · Physics 2013-04-26 V. U. Nazarov

By introducing the self-energy density functionals for the dissipative interactions between the reduced system and its environment, we develop a time-dependent density-functional theory formalism based on an equation of motion for the…

Quantum Physics · Physics 2009-11-13 Xiao Zheng , Fan Wang , Chi Yung Yam , Yan Mo , GuanHua Chen

We present an extension of the density-functional theory (DFT) formalism for lattice gases to systems with internal degrees of freedom. In order to test approximations commonly used in DFT approaches, we investigate the statics and dynamics…

Statistical Mechanics · Physics 2009-11-10 S. Heinrichs , W. Dieterich , P. Maass , H. L. Frisch

We study a rate-independent system with non-convex energy and in the case of a time-discontinuous loading. We prove existence of the rate-dependent viscous regularization by time-incremental problems, while the existence of the so called…

Analysis of PDEs · Mathematics 2019-09-26 Dorothee Knees , Chiara Zanini

We show that the time-dependent particle density $n(\vec r,t)$ and the current density ${\vec j}(\vec r,t)$ of a many-particle system that evolves under the action of external scalar and vector potentials $V(\vec r,t)$ and $\vec A(\vec…

Strongly Correlated Electrons · Physics 2009-11-10 G. Vignale

The dynamics of strongly interacting trapped dilute Fermi gases (dilute in the sense that the range of interatomic potential is small compared with inter-particle spacing) is investigated in a single-equation approach to the time-dependent…

Soft Condensed Matter · Physics 2009-02-05 Yeong E. Kim , Alexander L. Zubarev

We clarify some misunderstandings on the time-dependent current density functional theory for open quantum systems we have recently introduced [M. Di Ventra and R. D'Agosta, Phys. Rev. Lett. {\bf 98}, 226403 (2007)]. We also show that some…

Materials Science · Physics 2013-05-20 Roberto D'Agosta , Massimiliano Di Ventra

A recently developed viewpoint on the fundamentals of density-functional theory for finite interacting spin-lattice systems that centers around the notion of degeneracy regions is presented. It allows for an entirely geometrical description…

Materials Science · Physics 2024-10-22 Markus Penz , Robert van Leeuwen

We study a lattice model describing the non-equilibrium dynamics emerging from the pulling of a tracer particle through a disordered medium occupied by randomly placed obstacles. The model is considered in a restricted geometry pertinent…

Statistical Mechanics · Physics 2026-03-09 A. Squarcini , A. Tinti , P. Illien , O. Bénichou , T. Franosch

Given the time-evolution of an electron charge density, the local potential in Kohn-Sham time-dependent density functional theory (KS-TDDFT) can be modeled as a sum of instantaneous and dynamic contributions by assuming a certain form of…

Computational Physics · Physics 2016-11-09 R. J. Magyar

We solve analytically the Kadanoff-Baym equations for a noninteracting junction connected to an arbitrary number of noninteracting wide-band terminals. The initial equilibrium state is properly described by the addition of an imaginary…

Mesoscale and Nanoscale Physics · Physics 2013-03-28 Riku Tuovinen , Robert van Leeuwen , Enrico Perfetto , Gianluca Stefanucci

An explicit expression for the quadratic density-response function of a many-electron system is obtained in the framework of the time-dependent density-functional theory, in terms of the linear and quadratic density-response functions of…

Materials Science · Physics 2009-11-10 V. U. Nazarov , J. M. Pitarke , C. S. Kim , Y. Takada

We analyse the time-dependence of currents in a 1D Bose gas in an optical lattice. For a 1D system, the stability of currents induced by accelerating the lattice exhibits a broad crossover as a function of the magnitude of the acceleration,…

Quantum Gases · Physics 2010-03-03 Johannes Schachenmayer , Guido Pupillo , Andrew J. Daley

It is shown that the density-potential mapping and the ${\cal V}$-representability problems in the time-dependent current density functional theory (TDCDFT) are reduced to the solution of a certain many-body nonlinear Schr\"odinger equation…

Strongly Correlated Electrons · Physics 2012-04-27 I. V. Tokatly

Time-Dependent Density Functional Theory is mathematically formulated through non-linear coupled time-dependent 3-dimensional partial differential equations and it is natural to expect a strong sensitivity of its solutions to variations of…

Statistical Mechanics · Physics 2022-04-06 Aurel Bulgac , Ibrahim Abdurrahman , Gabriel Wlazłowski