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Linear-response time-dependent (TD) density-functional theory (DFT) has been implemented in the pseudopotential wavelet-based electronic structure program BigDFT and results are compared against those obtained with the all-electron…

We study the possibility to stabilize unstable steady states and unstable periodic orbits in chaotic fractional-order dynamical systems by the time-delayed feedback method. By performing a linear stability analysis, we establish the…

General Physics · Physics 2011-07-07 Aleksandar Gjurchinovski , Trifce Sandev , Viktor Urumov

Superadiabatic dynamical density functional theory (superadiabatic-DDFT), a first-principles approach based on the inhomogeneous two-body correlation functions, is employed to investigate the response of interacting Brownian particles to…

Soft Condensed Matter · Physics 2023-06-23 S. M. Tschopp , H. D. Vuijk , J. M. Brader

Closed-loop or feedback control ratchets use information about the state of the system to operate with the aim of maximizing the performance of the system. In this paper we investigate the effects of a time delay in the feedback for a…

Statistical Mechanics · Physics 2007-12-13 M. Feito , F. J. Cao

Time-dependent density-functional theory (TDDFT) is a powerful tool to study the non-equilibrium dynamics of inhomogeneous interacting many-body systems. Here we show that the simple adiabatic local-spin-density approximation for the…

Strongly Correlated Electrons · Physics 2008-11-11 Wei Li , Gao Xianlong , Corinna Kollath , Marco Polini

We experimentally, numerically and analytically explore the diffusive transport of active colloidal particles with sensory delay, navigating motility landscapes in which the self-propulsion speed depends on space. We show how the transport…

Statistical Mechanics · Physics 2026-04-29 Adrià Garcés , Ueli Töpfer , Lucio Isa , Demian Levis , Ignacio Pagonabarraga

We report on a significant improvement of the classical time-delayed feedback control method for stabilization of unstable periodic orbits or steady states. In an electronic circuit experiment we were able to realize time-varying and…

Chaotic Dynamics · Physics 2012-02-03 Thomas Jüngling , Aleksandar Gjurchinovski , Viktor Urumov

Density functional theory (DFT) is shown to provide a novel conceptual and computational framework for entanglement in interacting many-body quantum systems. DFT can, in particular, shed light on the intriguing relationship between quantum…

Quantum Physics · Physics 2009-11-11 L. -A. Wu , M. S. Sarandy , D. A. Lidar , L. J. Sham

Time-dependent density-functional theory (TDDFT) is an extension of ground-state density-functional theory which allows the treatment of electronic excited states and a wide range of time-dependent phenomena in the linear and nonlinear…

Materials Science · Physics 2025-10-10 Carsten A. Ullrich

An approximate method based on adiabatic time dependent density functional theory (TDDFT) is presented, that allows for the description of the electron dynamics in nanoscale junctions under arbitrary time dependent external potentials. In…

Mesoscale and Nanoscale Physics · Physics 2015-05-27 Y. Wang , C. -Y. Yam , G. H. Chen , Th. Frauenheim , T. A. Niehaus

We demonstrate the first successful non-invasive stabilisation of nonlinear travelling waves in a straight cylindrical pipe using time-delayed feedback control (TDF) working in various symmetry subspaces. By using an approximate linear…

Fluid Dynamics · Physics 2025-02-19 Tatsuya Yasuda , Dan Lucas

The cornerstone of time-dependent (TD) density functional theory (DFT), the Runge-Gross theorem, proves a one-to-one correspondence between TD potentials and TD densities of continuum Hamiltonians. In all practical implementations, however,…

Mesoscale and Nanoscale Physics · Physics 2015-05-20 S. Kurth , G. Stefanucci

The logical structure and the basic theorems of time-dependent current density functional theory (TDCDFT) are analyzed and reconsidered from the point of view of recently proposed time-dependent deformation functional theory (TDDefFT). It…

Strongly Correlated Electrons · Physics 2019-03-27 I. V. Tokatly

Classical dynamical density functional theory (DDFT) has become one of the central modeling approaches in nonequilibrium soft matter physics. Recent years have seen the emergence of novel and interesting fields of application for DDFT. In…

Soft Condensed Matter · Physics 2023-03-21 Michael te Vrugt , Raphael Wittkowski

We propose a machine learning based approach to develop the exchange-correlation potential of time dependent density functional theory (TDDFT). The neural network projection from the time-varying electron densities to the corresponding…

Computational Physics · Physics 2020-05-20 Yasumitsu Suzuki , Ryo Nagai , Jun Haruyama

The time-dependent transport through a nano-scale device, consisting of a single spin-degenerate orbital with on-site Coulomb interaction, coupled to two leads, is investigated. Various gate and bias voltage time-dependences are considered.…

Mesoscale and Nanoscale Physics · Physics 2014-06-30 V. Vovchenko , D. Anchishkin , J. Azema , P. Lombardo , R. Hayn , A. -M. Daré

Understanding the nanoscale effects controlling the dynamics of a contact line -- defined as the line formed at the junction of two fluid phases and a solid -- has been a longstanding problem in fluid mechanics pushing experimental and…

Fluid Dynamics · Physics 2025-01-06 Andreas Nold , Benjamin D. Goddard , David N. Sibley , Serafim Kalliadasis

Time-dependent density-functional theory (TDDFT) is widely used to describe electronic excitations in complex finite systems with large numbers of atoms, such as biomolecules and nanocrystals. The first part of this paper will give a simple…

Materials Science · Physics 2008-08-15 C. A. Ullrich , V. Turkowski

Density functional theory (DFT) is a powerful theoretical tool widely used in such diverse fields as computational condensed matter physics, atomic physics, and quantum chemistry. DFT establishes that a system of $N$ interacting electrons…

Plasma Physics · Physics 2020-04-29 Giovanni Manfredi

Subsystem Density-Functional Theory (DFT) is an emerging technique for calculating the electronic structure of complex molecular and condensed phase systems. In this topical review, we focus on some recent advances in this field related to…

Chemical Physics · Physics 2015-06-24 Alisa Krishtal , Debalina Sinha , Alessandro Genova , Michele Pavanello