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In time-dependent density-functional theory, exchange and correlation (xc) beyond the adiabatic local density approximation can be described in terms of viscoelastic stresses in the electron liquid. In the time domain, this leads to a…

Mesoscale and Nanoscale Physics · Physics 2009-11-10 H. O. Wijewardane , C. A. Ullrich

We propose a systematic and constructive way to determine the exchange-correlation potentials of density-functional theories including vector potentials. The approach does not rely on energy or action functionals. Instead it is based on…

We put forward new approach for the development of a non-local density functional by a direct modeling of the shape of exchange-correlation (xc) hole in inhomogeneous systems. The functional is aimed at giving an accurate xc-energy and an…

Other Condensed Matter · Physics 2013-08-05 Klaas J. H. Giesbertz , Robert van Leeuwen , Ulf von Barth

A new class of orbital-dependent exchange-correlation (xc) potentials for applications in noncollinear spin-density-functional theory is developed. Starting from the optimized effective potential (OEP) formalism for the exact exchange…

Mesoscale and Nanoscale Physics · Physics 2018-08-01 Carsten A. Ullrich

We describe a method for calculating the exchange and correlation (XC) contributions to the total energy, effective potential, and stress tensor in the generalized gradient approximation. We avoid using the analytical expressions for the…

Materials Science · Physics 2009-11-07 L. C. Balbas , Jose Luis Martins , Jose M. Soler

We show that the exact exchange-correlation potential of time-dependent density-functional theory displays dynamical step structures that have a spatially non-local and time non-local dependence on the density. Using one-dimensional…

Chemical Physics · Physics 2015-06-12 Peter Elliott , Johanna I. Fuks , Angel Rubio , Neepa T. Maitra

We address and quantify the role of non-adiabaticity ("memory effects") in the exchange-correlation (xc) functional of time-dependent density functional theory (TDDFT) for describing non-linear dynamics of many-body systems. Time-dependent…

Other Condensed Matter · Physics 2015-06-18 Johanna I. Fuks , Mehdi Farzanehpour , Ilya V. Tokatly , Heiko Appel , Stefan Kurth , Angel Rubio

We develop a scheme for building the scalar exchange-correlation (xc) kernel of time-dependent density functional theory (TDDFT) from the tensorial kernel of time-dependent {\em current} density functional theory (TDCDFT) and the Kohn-Sham…

Materials Science · Physics 2009-11-13 V. U. Nazarov , J. M. Pitarke , Y. Takada , G. Vignale , Y. -C. Chang

The scalar $f_{xc}$ and tensor $\hat{f}_{xc}$ exchange-correlation (xc) kernels are key ingredients of the time-dependent density functional theory and the time-dependent current density functional theory, respectively. We derive a…

Strongly Correlated Electrons · Physics 2010-07-15 V. U. Nazarov , G. Vignale , Y. -C. Chang

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…

Condensed Matter · Physics 2009-10-22 G. Vignale

We discuss the concept of local thermodynamical equilibrium in relativistic hydrodynamics in flat spacetime in a quantum statistical framework without an underlying kinetic description, suitable for strongly interacting fluids. We show that…

High Energy Physics - Theory · Physics 2015-05-20 F. Becattini , L. Bucciantini , E. Grossi , L. Tinti

We determine the nonlocal stress autocorrelation tensor in an homogeneous and isotropic system of interacting Brownian particles starting from the Smoluchowski equation of the configurational probability density. In order to relate stresses…

Statistical Mechanics · Physics 2021-01-12 Florian Vogel , Matthias Fuchs

We construct the theory of dissipative hydrodynamics of uncharged fluids living on embedded space-time surfaces to first order in a derivative expansion in the case of codimension-1 surfaces (including fluid membranes) and the theory of…

High Energy Physics - Theory · Physics 2014-12-23 Jay Armas

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 exact exchange-correlation (xc) potential of time-dependent density functional theory has been shown to have striking features. For example, step and peak features are generically found when the system is far from its ground-state, and…

Chemical Physics · Physics 2014-03-11 Kai Luo , Johanna I. Fuks , Ernesto D. Sandoval , Peter Elliott , Neepa T. Maitra

It has been known for some time that the exchange-correlation potential in time-dependent density functional theory is an intrinsically nonlocal functional of the density as soon as one goes beyond the adiabatic approximation. In this paper…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Z. Qian , A. Constantinescu , G. Vignale

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

The frequency-dependent exchange-correlation potential, which appears in the usual Kohn-Sham formulation of a time-dependent linear response problem, is a strongly nonlocal functional of the density, so that a consistent local density…

Condensed Matter · Physics 2009-10-28 G. Vignale , Walter Kohn

Today, most application of time-dependent density functional theory (TDDFT) use adiabatic exchange-correlation (XC) potentials that do not take into account non-local temporal effects. Incorporating such "memory" terms into XC potentials is…

Strongly Correlated Electrons · Physics 2009-11-11 Yair Kurzweil , Roi Baer

In this work, we extend the formalism of second-order relativistic dissipative hydrodynamics, developed previously using Zubarev's non-equilibrium statistical operator formalism. By employing a second-order expansion of the statistical…

Nuclear Theory · Physics 2025-11-17 Arus Harutyunyan , Armen Sedrakian
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