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arxiv: cond-mat/0106021 · v3 · submitted 2001-06-01 · ❄️ cond-mat.mtrl-sci · cond-mat.mes-hall

Spin currents and spin dynamics in time-dependent density-functional theory

classification ❄️ cond-mat.mtrl-sci cond-mat.mes-hall
keywords spintd-sdftcurrentsdynamicsequationprescriptiontheorytime-dependent
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We derive and analyse the equation of motion for the spin degrees of freedom within time-dependent spin-density-functional theory (TD-SDFT). Results are (i) a prescription for obtaining many-body corrections to the single-particle spin currents from the Kohn-Sham equation of TD-SDFT, (ii) the existence of an exchange-correlation (xc) torque within TD-SDFT, (iii) a prescription for calculating, from TD-SDFT, the torque exerted by spin currents on the spin magnetization, (iv) a novel exact constraint on approximate xc functionals, and (v) the discovery of serious deficiencies of popular approximations to TD-SDFT when applied to spin dynamics.

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