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arXiv · 0811.0714

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

J. M. Morbec·K. Capelle
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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, $E_x[n_{\uparrow},n_{\downarrow},j_{\uparrow},j_{\downarrow}]$. 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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J. M. Morbec, K. Capelle. 2008-11-05. Exact and approximate relations for the spin-dependence of the exchange energy in high magnetic fields. https://doi.org/10.1142/s0217979209062712

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