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Morbec, JM and Capelle, K (2009) Exact and approximate relations for the spin-dependence of the exchange energy in high magnetic fields. International Journal of Modern Physics B, 23 (12(n13). 3004 - 3008. ISSN 1793-6578
Full text not available from this repository.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.
Item Type: | Article |
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Subjects: | Q Science > QC Physics |
Divisions: | Faculty of Natural Sciences > School of Chemical and Physical Sciences |
Depositing User: | Symplectic |
Date Deposited: | 25 Oct 2019 08:23 |
Last Modified: | 25 Oct 2019 11:24 |
URI: | https://eprints.keele.ac.uk/id/eprint/7083 |