Berlin 2005 – wissenschaftliches Programm

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HL: Halbleiterphysik

HL 15: Elektronentheorie

HL 15.1: Vortrag

Freitag, 4. März 2005, 15:00–15:15, TU P-N226

Orbital functionals in current-density-functional theory — •Nicole Helbig, Stefan Kurth, and Eberhard K.U. Gross — Freie Universität Berlin, Arnimalle 14, 14195 Berlin

The ab-initio treatment of many-electron systems in strong magnetic fields is still a challenging task. Current-density-functional theory (CDFT) is an option whose theoretical foundation was layed down many years ago. However, the application of this formalism has been hesitant because all electron-gas-based (LDA-type) approximations of the CDFT exchange-correlation functional have serious pathologies which make them awkward or impossible to use in practical calculations. As an alternative we have developed a CDFT version of the optimized effective potential (OEP) method which allows for the use of explicitly orbital-dependent functionals in the context of CDFT. We will present the derivation of these equations and will show results for a quantum dot in external magnetic fields.