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We propose a time-dependent approach to investigate the motion of electrons in quantum pump device configurations. The occupied one-particle states are propagated in real time and used to calculate the local electron density and current. An…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 G. Stefanucci , S. Kurth , A. Rubio , E. K. U. Gross

One-dimensional multi-component Fermi or Bose systems with strong zero-range interactions can be described in terms of local exchange coefficients and mapping the problem into a spin model is thus possible. For arbitrary external confining…

A time-dependent Kohn-Sham scheme for 1D bosons with contact interaction is derived based on a model of spinor fermions. This model is specifically designed for the study of the strong interaction regime close to the Tonks gas. It allows us…

Soft Condensed Matter · Physics 2007-05-23 Joachim Brand

In this work we give a comprehensive derivation of an exact and numerically feasible method to perform ab-initio calculations of quantum particles interacting with a quantized electromagnetic field. We present a hierachy of…

The electronic and magnetic properties of many strongly-correlated systems are controlled by a limited number of states, located near the Fermi level and well isolated from the rest of the spectrum. This opens a formal way for combining the…

Strongly Correlated Electrons · Physics 2010-07-15 I. V. Solovyev

We formulate a time-dependent density functional theory for the coupled dynamics of electrons and nuclei that goes beyond the Born-Oppenheimer (BO) approximation. We prove that the time-dependent marginal nuclear probability density…

Chemical Physics · Physics 2025-11-14 Chen Li , Ryan Requist , E. K. U. Gross

The quantum hydrodynamic theory is a promising method for describing microscopic details of macroscopic systems. The hydrodynamic equation can be directly obtained from a single particle Kohn-Sham equation that includes the contribution of…

Mesoscale and Nanoscale Physics · Physics 2017-07-05 Cristian Ciracì

An efficient numerical method is developed using the matrix product formalism for computing the properties at finite energy densities in one-dimensional (1D) many-body localized (MBL) systems. Arguing that any efficient (possibly quantum)…

Disordered Systems and Neural Networks · Physics 2015-08-20 Yichen Huang

We present a rigorous formulation of generalized Kohn-Sham density-functional theory. This provides a straightforward Kohn-Sham description of many-body systems based not only on particle-density but also on any other observable. We…

Strongly Correlated Electrons · Physics 2008-02-03 M. Valiev , G. W. Fernando

We develop methods to learn the correlation potential for a time-dependent Kohn-Sham (TDKS) system in one spatial dimension. We start from a low-dimensional two-electron system for which we can numerically solve the time-dependent…

Machine Learning · Statistics 2022-12-08 Harish S. Bhat , Kevin Collins , Prachi Gupta , Christine M. Isborn

Using a simplified one-dimensional model of a diatomic molecule, the associated interacting density and corresponding Kohn-Sham potential have been obtained analytically for all fractional molecule occupancies $N$ between 0 and 2. For the…

Atomic Physics · Physics 2016-11-15 A. Benitez , C. R. Proetto

The Floquet theorem allows to reformulate periodic time-dependent problems such as the interaction of a many-body system with a laser field in terms of time-independent, field-dressed states, also known as Floquet states. If this was…

Atomic Physics · Physics 2017-11-21 V. Kapoor , M. Ruggenthaler , D. Bauer

In this study, we theoretically analyzed a control protocol based on ``time-dependent resonance" in nearly adiabatic two-level quantum systems, demonstrating that it exhibits properties equivalent to adiabatic control. This protocol is…

Quantum Physics · Physics 2025-01-03 Takayuki Suzuki

In this work, we develop a method to design control pulses for fixed-frequency superconducting qubits coupled via tunable couplers based on local control theory, an approach commonly employed to steer chemical reactions. Local control…

Quantum Physics · Physics 2019-05-15 M. Malis , P. Kl. Barkoutsos , M. Ganzhorn , S. Filipp , D. J. Egger , S. Bonella , I. Tavernelli

We study time-dependent quantum transport in a correlated model system by means of time-propagation of the Kadanoff-Baym equations for the nonequilibrium many-body Green function. We consider an initially contacted equilibrium system of a…

Mesoscale and Nanoscale Physics · Physics 2011-11-28 Petri Myöhänen , Adrian Stan , Gianluca Stefanucci , Robert van Leeuwen

We formulate diagrammatic rules for many-body perturbation theory which uses Kohn-Sham (KS) Green's functions as basic propagators. The diagram technique allows to study the properties of the dynamic nonlocal exchange-correlation (xc)…

Condensed Matter · Physics 2009-10-31 I. V. Tokatly , O. Pankratov

The grand canonical density functional theory for inhomogeneous systems of interacting bosons is developed in the effective action approach. The Legendre transform of the generating functional for Green's functions is used to define the…

Quantum Gases · Physics 2023-07-03 Anna Okopińska

In recent years, we have witnessed an explosion of experimental tools by which quantum systems can be manipulated in a controlled and coherent way. One of the most important goals now is to build quantum simulators, which would open up the…

Quantum Physics · Physics 2009-11-13 Frank Verstraete , J. Ignacio Cirac , Jose I. Latorre

The Kohn-Sham approach to time-dependent density-functional theory (TDDFT) can be formulated, in principle exactly, by invoking the force-balance equation for the density, which leads to an explicit expression for the exchange-correlation…

Chemical Physics · Physics 2021-09-15 Walter Tarantino , Carsten A. Ullrich

In this work a practical scheme is developed for the first-principles study of time-dependent quantum transport. The basic idea is to combine the transport master-equation with the well-known time-dependent density functional theory. The…

Mesoscale and Nanoscale Physics · Physics 2013-12-16 Xin-Qi Li , YiJing Yan