English
Related papers

Related papers: Exact exchange-correlation potential for a time-de…

200 papers

The local conservation of a physical quantity whose distribution changes with time is mathematically described by the continuity equation. The corresponding time parameter, however, is defined with respect to an idealized classical clock.…

Chemical Physics · Physics 2018-11-21 Axel Schild

We consider an analytically solvable model of two interacting electrons that allows for the calculation of the exact exchange-correlation kernel of time-dependent density functional theory. This kernel, as well as the corresponding density…

Strongly Correlated Electrons · Physics 2017-05-04 Luis Cort , Daniel Karlsson , Giovanna Lani , Robert van Leeuwen

We consider density functionals for exchange and correlation energies in two-dimensional systems. The functionals are constructed by making use of exact constraints for the angular averages of the corresponding exchange and correlation…

Strongly Correlated Electrons · Physics 2010-02-25 E. Rasanen , S. Pittalis

I develop the solution to the problem of an electron confined in a composite quadratic well subject to a simple, external periodic force. The method of solution illustrates several of the basic techniques useful in formally solving the…

Quantum Physics · Physics 2020-10-27 Rafael Bautista-Mena

The full-dimensional time-dependent Schrodinger equation for the electronic dynamics of single-electron systems in intense external fields is solved directly using a discrete method. Our approach combines the finite-difference and Lagrange…

Atomic Physics · Physics 2009-11-10 Liang-You Peng , J F McCann , Daniel Dundas , K T Taylor , I D Williams

A new method for extracting ensemble Kohn-Sham potentials from accurate excited state densities is applied to a variety of two electron systems, exploring the behavior of exact ensemble density functional theory. The issue of separating the…

We construct a novel class of exact solutions to the Boltzmann equation, in both its classical and quantum formulation, for arbitrary collision laws. When the system is subjected to a specific external forcing, the precise form of which is…

Statistical Mechanics · Physics 2015-06-19 D. Guéry-Odelin , J. G. Muga , M. J. Ruiz-Montero , E. Trizac

We illustrate the scope of Time Dependent Density Functional Theory (TDDFT) for strongly correlated (lattice) models out of equilibrium. Using the exact many body time evolution, we reverse engineer the exact exchange correlation (xc)…

Mesoscale and Nanoscale Physics · Physics 2008-08-12 Claudio Verdozzi

In this paper we point out a close connection between the Darboux transformation and the group of point transformations which preserve the form of the time-dependent Schr\"odinger equation (TDSE). In our main result, we prove that any pair…

Mathematical Physics · Physics 2009-10-31 Federico Finkel , Artemio Gonzalez-Lopez , Niky Kamran , Miguel A. Rodriguez

Using an explicit Euler substitution it was obtained a system of differential equations, which can be used to find the solution of time-dependent 1-dimentional Schr\H{o}dinger equation for a general form of the time-dependent potential.

Quantum Physics · Physics 2015-06-26 Ioan Sturzu

We formulate a rigorous method for calculating a nonadiabatic (frequency-dependent) exchange-correlation (XC) kernel required for correct description of both equilibrium and nonequilibrium properties of strongly correlated systems within…

Strongly Correlated Electrons · Physics 2014-10-13 Volodymyr Turkowski , Talat S. Rahman

The exact exchange-correlation (xc) kernel $f_\mathrm{xc}(x,x',\omega)$ of linear response time-dependent density functional theory is computed over a wide range of frequencies, for three canonical one-dimensional finite systems. Methods…

Materials Science · Physics 2021-04-07 N. D. Woods , M. T. Entwistle , R. W. Godby

A functional $E_{xc}[\rho(\r,\epsilon)]$ is presented, in which the exchange and correlation energy of an electron gas depends on the local density of occupied states. A simple local parametrization scheme is proposed, entirely from first…

Materials Science · Physics 2009-11-10 Jose M. Soler

The quantum mechanical many-body problem is rarely analytically solvable. One notable exception is the case of two electrons interacting via a Coulomb potential in a uniform magnetic field. The motion is confined to a two-dimensional plane,…

Mesoscale and Nanoscale Physics · Physics 2011-01-04 Tobias Kramer

Analytical solutions to the time-dependent Schrodinger equation describing a driven two-level system are invaluable to many areas of physics, but they are also extremely rare. Here, we present a simple algorithm that generates an unlimited…

Quantum Physics · Physics 2012-08-08 Edwin Barnes , S. Das Sarma

We show that the exact solution of the Schr\"odinger equation for two electrons confined to two distinct concentric rings or spheres can be found in closed form for particular sets of the ring or sphere radii. In the case of two concentric…

Chemical Physics · Physics 2015-06-12 Pierre-François Loos , Peter M. W. Gill

We extend our finite difference time domain method for numerical solution of the Schrodinger equation to cases where eigenfunctions are complex-valued. Illustrative numerical results for an electron in two dimensions, subject to a confining…

Computational Physics · Physics 2008-07-05 I. Wayan Sudiarta , D. J. Wallace Geldart

The near nucleus behavior of the exchange-correlation potential $v_{xc}({\bf r})$ in Hohenberg-Kohn-Sham density functional theory is investigated. It is shown that near the nucleus the linear term of $O(r)$ of the spherically averaged…

Materials Science · Physics 2009-11-13 Zhixin Qian

As shown by Overhauser and others, accurate pair densities for the uniform electron gas may be found by solving a two-electron scattering problem with an effective screened electron-electron repulsion. In this work we explore the extension…

Materials Science · Physics 2009-11-10 Paola Gori-Giorgi , Andreas Savin

We present a computationally tractable scheme of time-dependent transport phenomena within open-boundary time-dependent density-functional-theory. Within this approach all the response properties of a system are determined from the…

Other Condensed Matter · Physics 2009-11-11 S. Kurth , G. Stefanucci , C. -O. Almbladh , A. Rubio , E. K. U. Gross