Solving the Ultranonlocality Problem in Time-Dependent Spin-Density-Functional Theory

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Solving the Ultranonlocality Problem in Time-Dependent Spin-Density-Functional Theory

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Title: Solving the Ultranonlocality Problem in Time-Dependent Spin-Density-Functional Theory
Author: Qian, Zhixin; Constantinescu, Adi; Vignale, Giovanni, 1957-
Keywords: density functional theory
gradient and other corrections
Fermi gas
exchange, correlation, dielectric and magnetic response functions
Date: 2003-02-11
Publisher: American Physical Society
Citation: Phys. Rev. Lett. 90, 066402 (2003)
Abstract: 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 we show that a much more severe nonlocality problem, with a completely different physical origin, plagues the exchange-correlation potentials in time-dependent spin-density functional theory. We show how the use of the spin current density as a basic variable solves this problem, and we provide an explicit local expression for the exchange-correlation fields as functionals of the spin currents.
URI: http://hdl.handle.net/10355/7798
ISSN: 0031-9007

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