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Introduction to Ele...
Introduction to Electronic Structure 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: Springer Series in Solid-State Sciences. - Berlin, Heidelberg : Springer Nature. ; , s. 25-34
- 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
- An introduction to electronic structure theory of solids is presented, including the general form of the one-electron wave function. The evaluation of the electron density, density of states as well as the calculation of energy bands is described. Different types of integration of reciprocal space are presented, and numerical examples given for their accuracy. The calculation of a self-consistent field is also described, as is the Rayleigh-Ritz variational method.
Ämnesord
- NATURVETENSKAP -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
- TEKNIK OCH TEKNOLOGIER -- Elektroteknik och elektronik -- Annan elektroteknik och elektronik (hsv//swe)
- ENGINEERING AND TECHNOLOGY -- Electrical Engineering, Electronic Engineering, Information Engineering -- Other Electrical Engineering, Electronic Engineering, Information Engineering (hsv//eng)
- NATURVETENSKAP -- Kemi -- Teoretisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Theoretical Chemistry (hsv//eng)
Nyckelord
- Brillouin Zone
- Electronic Structure Calculation
- Electronic Structure Theory
- Output Density
- Sham Equation
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