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Dynamical Mean Fiel...
Dynamical Mean Field Theory
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- Wills, John M. (författare)
- Los Alamos National Laboratory, Theoretical Division, PO Box 1663, Los Alamos, NM, 87545, USA, PO Box 1663
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- Alouani, Mebarek (författare)
- Institut Physique et Chimie des Matériaux de Strasbourg (IPCMS), Universit Strasbourg CNRS-UMR 7504, rue du Loess 22, 67034, Strasbourg CX2, France, rue du Loess 22
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- Andersson, Per (författare)
- Swedish Defence Research Agency, FOI, Stockholm, Sweden
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- Delin, Anna, 1966- (författare)
- KTH,Material- och nanofysik
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- Eriksson, Olle (författare)
- Department of Physics and Astronomy, Uppsala University, PO Box 516, 75120, Uppsala, Sweden, PO Box 516
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- Grechnyev, Oleksiy (författare)
- National Academy of Sciences of Ukraine, B. Verkin Institute for Low Temperature Physics and Engineering, Lenin Ave. 47, 61103, Kharkov, Ukraine, Lenin Ave. 47
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(creator_code:org_t)
- 2010-11-03
- 2010
- Engelska.
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Ingår i: Full-Potential Electronic Structure Method. - Berlin, Heidelberg : Springer Nature. ; , s. 75-87
- Relaterad länk:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Ämnesord
Stäng
- The basic reasons for why the common approximation to the exchange and correlation energy of density functional theory is inaccurate for certain materials are outlined. A possible fix to this problem, in terms of dynamical mean field theory (DMFT) is described, and details of how it is implemented in the FP-LMTO method are presented. The different choices of correlated orbitals which are to be considered in DMFT are also given. Examples of DMFT calculations are presented using different approximations to the ‘impurity part’ of the DMFT calculations.
Ämnesord
- NATURVETENSKAP -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
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