Testing of two-dimensional local approximations in the current-spin and spin-density-functional theories
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© 2003 American Physical Society (APS). This is the accepted version of the following article: Pinto, Henry P. & Nieminen, Risto M. & Elliott, Simon D. 2004. Ab initio study of gamma-Al2O3 surfaces. Physical Review B. Volume 70, Issue 12. 125402/1-11. ISSN 1550-235X (electronic). DOI: 10.1103/physrevb.70.125402, which has been published in final form at http://journals.aps.org/prb/abstract/10.1103/PhysRevB.67.205327.
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A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
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Date
2003
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Degree programme
Language
en
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205327/1-5
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Physical Review B, Volume 67, Issue 20
Abstract
We study a model quantum dot system in an external magnetic field by using both spin-density-functional theory and current-spin density-functional theory. The theories are used with local approximations for the spin-density and vorticity. The reliabilities of different parametrizations for the exchange-correlation functionals are tested by comparing the ensuing energetics with quantum Monte Carlo results. The limit where the vorticity dependence should be used in the exchange-correlation functionals is discussed.Description
Keywords
quantum dots, spin-density-functional theory, current-spin-density-functional theory, local spin density approximation
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Citation
Saarikoski, H. & Räsänen, E. & Siljamäki, S. & Harju, A. & Puska, M. J. & Nieminen, Risto M. 2003. Testing of two-dimensional local approximations in the current-spin and spin-density-functional theories. Physical Review B. Volume 67, Issue 20. 205327/1-5. ISSN 1550-235X (electronic). DOI: 10.1103/physrevb.67.205327.