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The fundamental concept of phase space for particles moving in the four-dimensional spacetime is analyzed. Particle distribution density is defined as differential form, which degree may be different in various cases. It should be…

Classical Physics · Physics 2016-01-20 O. I. Drivotin

We present a variational formulation of Time-Dependent Density Functional Theory similar to the constrained-search variational formulation of ground-state density-function theory. The formulation is applied to justify the time-dependent…

Other Condensed Matter · Physics 2012-10-26 Jérôme Daligault

By propagating the many-body Schr\"odinger equation, we determine the exact time-dependent Kohn-Sham potential for a system of strongly correlated electrons which undergo field-induced tunneling. Numerous features are entirely absent from…

Strongly Correlated Electrons · Physics 2021-01-15 Matthew J. P. Hodgson , James D. Ramsden , Jacob B. J. Chapman , Piers Lillystone , Rex W Godby

We discuss two problems which are particularly challenging for approximations in time-dependent density functional theory (TDDFT) to capture: momentum-distributions in ionization processes, and memory-dependence in real-time dynamics. We…

Materials Science · Physics 2010-03-22 Arun K. Rajam , Paul Hessler , Christian Gaun , Neepa T. Maitra

The response of an extended periodic system to a homogeneous field (of wave-vector $q=0$) cannot be obtained from a $q=0$ time-dependent density functional theory (TDDFT) calculation, because the Runge-Gross theorem does not apply.…

Materials Science · Physics 2016-08-31 Neepa T. Maitra , Ivo Souza , Kieron Burke

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

A density-functional theory is developed based on the Maxwell--Schr\"odinger equation with an internal magnetic field in addition to the external electromagnetic potentials. The basic variables of this theory are the electron density and…

Chemical Physics · Physics 2018-01-17 Erik Tellgren

An approximate solution to the time-dependent density functional theory (TDDFT) response equations for finite systems is developed, yielding corrections to the single-pole approximation. These explain why allowed Kohn-Sham transition…

Materials Science · Physics 2009-11-07 H. Appel , E. K. U. Gross , K. Burke

The Cauchy problem for the Schr\"odinger equations is studied with time-dependent potentials growing polynomially in the spatial direction. First the existence and the uniqueness of solutions are shown in the weighted Sobolev spaces. In…

Analysis of PDEs · Mathematics 2017-09-22 Wataru Ichinose

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

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

We study the collective dynamics of colloidal suspensions in the presence of a time-dependent potential, by means of dynamical density functional theory. We consider a non-linear diffusion equation for the density and show that spatial…

Soft Condensed Matter · Physics 2017-06-08 N. A. M. Araujo , D. A. Zezyulin , V. V. Konotop , M. M. Telo da Gama

Time-dependent density functional theory is extended to include dissipative systems evolving under a master equation, providing a Hamiltonian treatment for molecular electronics. For weak electric fields, the isothermal conductivity is…

Materials Science · Physics 2007-05-23 Kieron Burke , Roberto Car , Ralph Gebauer

We provide a new formulation of Time-Dependent Density Functional Theory (TDDFT) based on the geometric structure of the set of states constrained to have a fixed density. Orbital-free TDDFT is formulated using a hydrodynamics equation…

We present an extension of the second-principles density functional theory (SPDFT) method to perform time-dependent simulations. Our approach, which calculates the evolution of the density matrix in real time and real space using the…

Materials Science · Physics 2025-07-21 Toraya Fernández-Ruiz , Jorge Íñiguez , Javier Junquera , Pablo García-Fernández

Considering an exactly solvable local quantum theory of a scalar field interacting with a $\delta$-shaped time-dependent potential we calculate the Bogoliubov coefficients analytically and determine the spectrum of created particles. We…

High Energy Physics - Theory · Physics 2021-04-21 Jens Boos , Valeri P. Frolov , Andrei Zelnikov

The dynamics of a many-body system coupled to an external environment represents a fundamentally important problem. To this class of open quantum systems pertains the study of energy transport and dissipation, dephasing, quantum measurement…

Strongly Correlated Electrons · Physics 2009-11-13 R. D'Agosta , M. Di Ventra

Time-dependent density-functional theory (TDDFT) is a formally exact approach to the time-dependent electronic many-body problem which is widely used for calculating excitation energies. We present a survey of the fundamental framework,…

Materials Science · Physics 2014-01-29 Carsten A. Ullrich , Zeng-hui Yang

In this note we develop an extension of the Mar\v{c}enko-Pastur theorem to time series model with temporal correlations. The limiting spectral distribution (LSD) of the sample covariance matrix is characterised by an explicit equation for…

Statistics Theory · Mathematics 2012-06-06 Jianfeng Yao

This paper deals with the Sturm-Liouville problem that feature distribution potential, polynomial dependence on the spectral parameter in the first boundary condition, and analytical dependence, in the second one. We study an inverse…

Spectral Theory · Mathematics 2024-09-05 E. E. Chitorkin , N. P. Bondarenko