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We consider the time-dependent electron transport through a quantum dot connected to multiple leads in the presence of the additional over-dot (bridge) tunnelling channels by using the evolution operator technique. Each terminal and quantum…

介观与纳米尺度物理 · 物理学 2007-06-13 R. Taranko , T. Kwapinski , E. Taranko

Reliable and robust convergence to the electronic ground state within density functional theory (DFT) Kohn-Sham (KS) calculations remains a thorny issue in many systems of interest. In such cases, charge sloshing can delay or completely…

计算物理 · 物理学 2020-04-07 Cedric Flamant , Grigory Kolesov , Efstratios Manousakis , Efthimios Kaxiras

The dynamics of a degree of freedom associated to an axial vector in contact with a heat bath is decribed by means of a probability distribution function obeying a Fokker-Planck equation. The equation is derived by using mesoscopic…

软凝聚态物质 · 物理学 2010-01-27 J. G. Méndez-Bermúdez , I. Santamaría-Holek

A time-dependent multiconfigurational self-consistent field theory is presented to describe the many-body dynamics of a gas of identical bosonic atoms confined to an external trapping potential at zero temperature from first principles. A…

其他凝聚态物理 · 物理学 2007-10-16 David J. Masiello , William P. Reinhardt

The Hohenberg-Kohn theorem and the Kohn-Sham equations, which are at the basis of the Density Functional Theory, are reformulated in terms of a particular many-body density, which is translational invariant and therefore is relevant for…

核理论 · 物理学 2021-09-29 A. Kievsky , G. Orlandini , M. Gattobigio

Mode-coupling theory for uniformly sheared underdamped systems with an isothermal condition is presented. As a result of the isothermal condition, it is shown that the shear stress exhibits significant relaxation at the alpha-relaxation…

统计力学 · 物理学 2013-02-27 Koshiro Suzuki , Hisao Hayakawa

A density-functional theory is established for inhomogeneous superfluids at finite temperature, subject to time-dependent external fields in isothermal conditions. After outlining parallelisms between a neutral superfluid and a charged…

统计力学 · 物理学 2009-10-31 M. L. Chiofalo , M. P. Tosi

The interplay between interactions and quenched disorder can result in rich dynamical quantum phenomena far from equilibrium, particularly when many-body localization prevents the system from full thermalization. With the aim of tackling…

无序系统与神经网络 · 物理学 2018-02-14 S. J. Thomson , M. Schiró

Density functional theory can be extended to excited states by means of a unified variational approach for passive state ensembles. This extension overcomes the restriction of the typical density functional approach to ground states, and…

化学物理 · 物理学 2019-07-10 Tim Gould , Stefano Pittalis

We present a diagrammatic formulation of a theory for the time dependence of density fluctuations in equilibrium systems of interacting Brownian particles. To facilitate derivation of the diagrammatic expansion we introduce a basis that…

软凝聚态物质 · 物理学 2009-11-13 Grzegorz Szamel

Couplings of a system to other degrees of freedom (that is, environmental degrees of freedom) lead to energy dissipation when the number of environmental degrees of freedom is large enough. Here we discuss quantal treatments for such energy…

核理论 · 物理学 2019-11-20 M. Tokieda , K. Hagino

We generalize the exact strong-interaction limit of the exchange-correlation energy of Kohn-Sham density functional theory to open systems with fluctuating particle numbers. When used in the self-consistent Kohn-Sham procedure on…

强关联电子 · 物理学 2015-06-16 André Mirtschink , Michael Seidl , Paola Gori-Giorgi

It is shown that the exchange-correlation part of the action functional $A_{xc}[\rho (\vec r,t)]$ in time-dependent density functional theory , where $\rho (\vec r,t)$ is the time-dependent density, is invariant under the transformation to…

凝聚态物理 · 物理学 2009-10-22 G. Vignale

Predictivity of the Kohn-Sham approach to dynamical problems, when regarded as an initial value problem in a time-dependent density functional framework, is analysed for a class of models for which the argument devised in the work of Maitra…

其他凝聚态物理 · 物理学 2015-06-16 Walter Tarantino

The van Leeuwen proof of linear-response time-dependent density functional theory (TDDFT) is generalized to thermal ensembles. This allows generalization to finite temperatures of the Gross-Kohn relation, the exchange-correlation kernel of…

化学物理 · 物理学 2016-06-15 Aurora Pribram-Jones , Paul E. Grabowski , Kieron Burke

We provide a theoretical framework to describe the nonequilibrium temporal dynamics of correlated electron systems for realistic system parameters and the consequent, often exponentially long time scales. It is based on an entirely…

强关联电子 · 物理学 2026-05-29 Francisco Meirinhos , Michael Turaev , Michael Kajan , Tim Bode , Johann Kroha

In the framework of density functional theory a formalism to describe electronic transport in the steady state is proposed which uses the density on the junction and the {\em steady current} as basic variables. We prove that, in a finite…

介观与纳米尺度物理 · 物理学 2016-01-12 G. Stefanucci , S. Kurth

The paper addresses the problem of relaxation of open quantum systems. Using the path integral methods we found an analytical expression for time-dependent density matrix of two coupled quantum oscillators interacting with different baths…

量子物理 · 物理学 2014-12-16 Illarion Dorofeyev

Typicality of the orthogonal dynamics (TOD) is established as a generic feature of temporal relaxation processes in isolated many-body quantum systems. The basic idea in the simplest case is that the transient non-equilibrium behavior is…

统计力学 · 物理学 2020-03-09 Peter Reimann , Ben N. Balz , Jonas Richter , Robin Steinigeweg

We discuss relaxation in bosonic and fermionic many-particle systems. For integrable systems, the time evolution can cause a dephasing effect, leading for finite subsystems to certain steady states. We give an explicit derivation of those…

统计力学 · 物理学 2008-04-09 Thomas Barthel , Ulrich Schollwöck