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We show that the exact exchange-correlation potential of time-dependent density-functional theory displays dynamical step structures that have a spatially non-local and time non-local dependence on the density. Using one-dimensional…

Chemical Physics · Physics 2015-06-12 Peter Elliott , Johanna I. Fuks , Angel Rubio , Neepa T. Maitra

Using a super-operator formulation of linearized time-dependent density-functional theory, the dynamical polarizability of a system of interacting electrons is given a matrix continued-fraction representation whose coefficients can be…

Materials Science · Physics 2009-11-11 B. Walker , A. M. Saitta , R. Gebauer , S. Baroni

Time-varying optical materials have attracted recent interest for their potential to enable frequency conversion, nonreciprocal physics, photonic time-crystals, and more. However, the description of time-varying materials has been primarily…

The time-dependent Bragg diffraction by multilayer gratings working by reflection or by transmission is investigated. The study is performed by generalizing the time-dependent coupled-wave theory previously developed for one-dimensional…

Other Condensed Matter · Physics 2015-11-26 Jean-Michel André , Philippe Jonnard

We discuss an extension of time-dependent density-functional theory by a self-interaction correction (SIC). A strictly variational formulation is given taking care of the necessary constraints. A manageable and transparent propagation…

Other Condensed Matter · Physics 2009-11-13 J. Messud , P. M. Dinh , P. -G. Reinhard , E. Suraud

We describe how to implement the time-dependent variational principle for matrix product states in the thermodynamic limit for nonuniform lattice systems. This is achieved by confining the nonuniformity to a (dynamically growable) finite…

Strongly Correlated Electrons · Physics 2013-10-18 Ashley Milsted , Jutho Haegeman , Tobias J. Osborne , Frank Verstraete

This paper presents a combined field and boundary integral equation method for solving the time-dependent scattering problem of a thermoelastic body immersed in a compressible, inviscid and homogeneous fluid. The approach here is a…

Numerical Analysis · Mathematics 2018-04-23 George Hsiao , Tonatiuh Sanchez-Vizuet , Francisco-Javier Sayas , Richard Weinacht

A robust and efficient frequency dependent and non-local exchange-correlation $f_{xc}(r,r';\omega)$ is derived by imposing time-dependent density-functional theory (TDDFT) to reproduce the many-body diagrammatic expansion of the…

Materials Science · Physics 2009-11-10 A. Marini , R. Del Sole , A. Rubio

Self-consistent N-body simulations are efficient tools to study galactic dynamics. However, using them to study individual trajectories (or ensembles) in detail can be challenging. Such orbital studies are important to shed light on global…

Astrophysics of Galaxies · Physics 2015-06-17 T. Manos , Rubens E. G. Machado

Kinetic energy functionals of the electronic density are used to model large systems in the context of density functional theory, without the need to obtain electronic wavefunctions. We discuss the problems associated with the application…

Condensed Matter · Physics 2009-11-07 Nicholas Choly , Efthimios Kaxiras

We present a new time-dependent Density Functional approach to study the relaxational dynamics of an assembly of interacting particles subject to thermal noise. Starting from the Langevin stochastic equations of motion for the velocities of…

Statistical Mechanics · Physics 2016-08-31 Umberto Marini Bettolo Marconi , Pedro Tarazona

In a recent letter [Europhys. Lett. 95, 13001 (2011)] the question of whether the density of a time-dependent quantum system determines its external potential was reformulated as a fixed point problem. This idea was used to generalize the…

Quantum Physics · Physics 2013-08-05 M. Ruggenthaler , K. J. H Giesbertz , M. Penz , R. van Leeuwen

A quantum electrodynamical time-dependent density functional theory framework is applied to describe strongly coupled light--matter interactions in cavity environments. The formalism utilizes a tensor product approach, coupling real-space…

Chemical Physics · Physics 2025-11-27 Yetmgeta Aklilu , Matthew Shepherd , Cody L. Covington , Kalman Varga

We derive a time-dependent density functional theory appropriate for calculating the near-edge X-ray absorption spectrum in molecules and condensed matter. The basic assumption is to increase the space of many-body wave functions from one…

Strongly Correlated Electrons · Physics 2015-06-16 G. F. Bertsch , A. Lee

We consider time-dependent nonlinear Schroedinger equations subject to smooth, lattice-periodic potentials plus additional confining potentials, slowly varying on the lattice scale. After an appropriate scaling we study the homogenization…

Mathematical Physics · Physics 2007-05-23 Christof Sparber

We highlight the importance of long-range correlations in active matter systems of self-propelling particles even in the absence of global order or steric interactions by demonstrating that long-range density fluctuations are reduced. We…

Soft Condensed Matter · Physics 2025-12-11 Horst-Holger Boltz , Thomas Ihle

We present an efficient perturbative method to obtain both static and dynamic polarizabilities and hyperpolarizabilities of complex electronic systems. This approach is based on the solution of a frequency dependent Sternheimer equation,…

Materials Science · Physics 2009-11-13 Xavier Andrade , Silvana Botti , Miguel A. L. Marques , Angel Rubio

The equilibrium statistical mechanics of one-dimensional lattice gases with interactions of arbitrary range and shape between first-neighbor atoms is solved exactly on the basis of statistically interacting vacancy particles. Two sets of…

Statistical Mechanics · Physics 2014-01-30 Benaoumeur Bakhti , Michael Karbach , Philipp Maass , Mohammad Mokim , Gerhard Muller

Many-body localization for a system of bosons trapped in a one dimensional lattice is discussed. Two models that may be realized for cold atoms in optical lattices are considered. The model with a random on-site potential is compared with…

Disordered Systems and Neural Networks · Physics 2018-04-24 Piotr Sierant , Jakub Zakrzewski

Most present applications of time-dependent density functional theory use adiabatic functionals, i.e. the effective potential at time t is determined solely by the density at the same time. This paper discusses a method that aims to go…

Strongly Correlated Electrons · Physics 2009-11-10 Yair Kurzweil , Roi Baer
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