TIME DEPENDENT DENSITY FUNCTIONAL THEORY ... - TDDFT.org

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An overview of basic concepts in TDDFT and some new extensions Robert van Leeuwen Groningen, The Netherlands We give an overview of the underlying concepts of time-dependent density-functional theory (TDDFT). This includes an extension of the Runge-Gross theorem, the question of the invertibility of the density-density reponse function, and a discussion of the subtleties related to the action principle. We will further discuss a way to construct density-functionals that incorporate memory effects and satisfy basic conservation laws. We finally discuss a multi-component extension of TDDFT in order to treat coupled electronic and nuclear motion. This will provide a TDDFT formalism that can be applied to a treatment of the electron-phonon interaction and to molecules in strong laser fields. 32
Advances in time-dependent spin density functional theory G. Vignale Univ. Missouri, USA Time-dependent density functional generally suffers from an ultra-nonlocality problem, namely the local density approximation for the exchange-correlation potential always fails, no matter how slowly varying is the density. I show that this problem is particularly severe in time-dependent spin density functional theory, but can be cured by switching to a formulation in which the spin currents are the basic variables. I discuss the physical significance of the new terms that appear in the spin-current dependent functional, and review the progress that has been made in providing explicit expressions for the latter. 33
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