2001/06/30 by K. Capelle, Giovanni Vignale, G. Vignale +2 · 4 citations
Mathematics · Physics and Astronomy · #Classical mechanics #Condensed matter physics #Constraint (computer-aided design) #Degrees of freedom (physics and chemistry) #Density functional theory #Dynamics (music) #Equations of motion #Geometry #Mathematics #Physics #Physics of Superconductivity and Magnetism #Quantum and electron transport phenomena #Quantum many-body systems #Quantum mechanics #Spin (aerodynamics) #Thermodynamics #Torque #cond-mat.mes-hall #cond-mat.mtrl-sci
paper · pdf · doi:10.1103/physrevlett.87.206403
published as Physical Review Letters 87 p. 206403 (2001) · now includes discussion of OEP and GGA; to appear in Phys. Rev. Lett
arxiv created 2001/10/01 · openalex publication_date 2001/10/26 · arxiv updated 2009/11/30 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05
We derive and analyze the equation of motion for the spin degrees of freedom within time-dependent spin-density-functional theory (TD-SDFT). The 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.