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arxiv: 0811.0714 · v1 · pith:W4KPAV5Tnew · submitted 2008-11-05 · ❄️ cond-mat.mtrl-sci · cond-mat.other

Exact and approximate relations for the spin-dependence of the exchange energy in high magnetic fields

classification ❄️ cond-mat.mtrl-sci cond-mat.other
keywords systemfullycurrent-dftdensitiesdownarrowenergyexchangefunctional
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The exchange energy of an arbitrary collinear-spin many-body system in an external magnetic field is a functional of the spin-resolved charge and current densities, $E_x[n_{\uparrow},n_{\downarrow},j_{\uparrow},j_{\downarrow}]$. Within the framework of density-functional theory (DFT), we show that the dependence of this functional on the four densities can be fully reconstructed from either of two extreme limits: a fully polarized system or a completely unpolarized system. Reconstruction from the limit of an unpolarized system yields a generalization of the Oliver-Perdew spin scaling relations from spin-DFT to current-DFT. Reconstruction from the limit of a fully polarized system is used to derive the high-field form of the local-spin-density approximation to current-DFT and to magnetic-field DFT.

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