Journal Article10.1142/S0217979201006227
Time-dependent density functional theory beyond the adiabatic approximation
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TL;DR: In this article, it was shown that in an electron gas of slowly varying density, the dynamical part of the xc potential is an extremely nonlocal functional of the density.
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Abstract: I review recent advances in understanding the physical character of the exchange-correlation (xc) potential in time-dependent density functional theory. I show that in an electron gas of slowly varying density the dynamical part of the xc potential is an extremely nonlocal functional of the density. This difficulty can be circumvented by introducing an xc vector potential that is a function of the local current density. The form of this vector potential is entirely specified by symmetry. Its physical effects are analogous to those of the viscous force in the Navier-Stokes equation of classical hydrodynamics. Recent applications of the xc vector potential to the calculation of infrared absorption linewidths in quantum wells are described.
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Citations
Excited states from time-dependent density functional theory
Peter Elliott,Filipp Furche,Kieron Burke +2 more
- 06 Jan 2009
Abstract: Time-dependent density functional theory (TDDFT) is presently enjoying enormous popularity in quantum chemistry, as a useful tool for extracting electronic excited state energies. This article explains what TDDFT is, and how it differs from ground-state DFT. We show the basic formalism, and illustrate with simple examples. We discuss its implementation and possible sources of error. We discuss many of the major successes and challenges of the theory, including weak fields, strong fields, continuum states, double excitations, charge transfer, high harmonic generation, multiphoton ionization, electronic quantum control, van der Waals interactions, transport through single molecules, currents, quantum defects, and, elastic electron-atom scattering.
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Time-dependent density-functional theory for extended systems
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Prevalence of the adiabatic exchange-correlation potential approximation in time-dependent density functional theory
TL;DR: In this paper, the authors show that when a finite system of electrons in its ground-state is gradually exposed to a very a high-frequency and eventually ultra-strong homogeneous electric field, the adiabatic XCPF approximation is in fact rigorously applicable.
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TL;DR: It is shown analytically that the time-dependent local-density approximation (TDLDA) satisfies the HPT exactly, while other approximations, such as linearized TDLDA with frequency-dependent exchange correlation kernel and certain inhomogeneous hydrodynamic formalisms, do not.
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