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

Abstract

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. 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.

Acceptance Date May 20, 2009
Publication Date May 20, 2009
Journal International Journal of Modern Physics B
Print ISSN 0217-9792
Publisher World Scientific Publishing
Pages 3004 - 3008
DOI https://doi.org/10.1142/S0217979209062712
Publisher URL https://doi.org/10.1142/S0217979209062712

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