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Density Functional ...
Density Functional Theory and the Kohn–Sham Equation
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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. 7-19
- 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 formulas of density functional theory (DFT) are derived, together with a discussion about the form and accuracy of different approximations to the energy functional used in DFT. Central concepts in DFT, like exchange and correlation hole, exchange and correlation energy, and the Kohn–Sham equation are presented. A short description about the historical development of density functional theory as also given.
Ämnesord
- NATURVETENSKAP -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
Nyckelord
- Density Functional Theory
- Electron Charge Density
- Generalize Gradient Approximation
- Local Density Approximation
- Sham Equation
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