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| 008 | 110706s2011 gw a ob 001 0 eng d | ||
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| 024 | 8 | _a9786613173652 | |
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_a(OCoLC)739118526 _z(OCoLC)745970610 _z(OCoLC)747412455 |
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_a10.1002/9783527638529 _bWiley InterScience _nhttp://www3.interscience.wiley.com |
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_aTA418.5 _b.A38 2011 |
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_aTEC _x021000 _2bisacsh |
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| 082 | 0 | 4 |
_a620.1/1 _223 |
| 049 | _aMAIN | ||
| 245 | 0 | 0 |
_aAdvanced calculations for defects in materials : _belectronic structure methods / _cedited by Audrius Alkauskas [and others]. |
| 260 |
_aWeinheim : _bWiley-VCH, _c©2011. |
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| 300 |
_a1 online resource (xviii, 384 pages) : _billustrations |
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| 336 |
_atext _btxt _2rdacontent |
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_acomputer _bc _2rdamedia |
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_aonline resource _bcr _2rdacarrier |
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| 505 | 0 | _aAdvances in Electronic Structure Methods for Defects and Impurities in Solids / Chris G Van de Walle, Anderson Janotti -- Accuracy of Quantum Monte Carlo Methods for Point Defects in Solids / William D Parker, John W Wilkins, Richard G Hennig -- Electronic Properties of Interfaces and Defects from Many-Body Perturbation Theory: Recent Developments and Applications / Matteo Giantomassi, Martin Stankovski, Riad Shaltaf, Myrta Gruning, Fabien Bruneval, Patrick Rinke, Gian-marco Rignanese -- Accelerating GW Calculations with Optimal Polarizability Basis / Paolo Umari, Xiaofeng Qian, Nicola Marzari, Geoffrey Stenuit, Luigi Giacomazzi, Stefano Baroni -- Calculation of Semiconductor Band Structures and Defects by the Screened Exchange Density Functional / S J Clark, John Robertson -- Accurate Treatment of Solids with the HSE Screened Hybrid / Thomas M Henderson, Joachim Paier, Gustavo E Scuseria -- Defect Levels Through Hybrid Density Functionals: Insights and Applications / Audrius Alkauskas, Peter Broqvist, Alfredo Pasquarello -- Accurate Gap Levels and Their Role in the Reliability of Other Calculated Defect Properties / Peter Deak, Adam Gali, B̀lint Aradi, Thomas Frauenheim -- LDA + U and Hybrid Functional Calculations for Defects in ZnO, SnO₂, and TiO₂ / Anderson Janotti, Chris G Van de Walle -- Critical Evaluation of the LDA + U Approach for Band Gap Corrections in Point Defect Calculations: The Oxygen Vacancy in ZnO Case Study / Adisak Boonchun, Walter R L Lambrecht -- Predicting Polaronic Defect States by Means of Generalized Koopmans Density Functional Calculations / Stephan Lany -- SiO₂ in Density Functional Theory and Beyond / L Martin-Samos, G Bussi, A Ruini, E Molinari, M J Caldas -- Overcoming Bipolar Doping Difficulty in Wide Gap Semiconductors / Su-Huai Wei, Yanfa Yan -- Electrostatic Interactions between Charged Defects in Supercells / Christoph Freysoldt, Jorg Neugebauer, Chris G Van de Walle -- Formation Energies of Point Defects at Finite Temperatures / Blazej Grabowski, Tilmann Hickel, Jorg Neugebauer -- Accurate Kohn-Sham DFT With the Speed of Tight Binding: Current Techniques and Future Directions in Materials Modelling / Patrick R Briddon, Mark J Rayson -- Green's Function Calculation of Hyperfine Interactions for Shallow Defects in Semiconductors / Uwe Gerstmann -- Time-Dependent Density Functional Study on the Excitation Spectrum of Point Defects in Semiconductors / Adam Gali -- Which Electronic Structure Method for The Study of Defects: A Commentary / Walter R L Lambrecht. | |
| 504 | _aIncludes bibliographical references and index. | ||
| 588 | 0 | _aPrint version record. | |
| 650 | 0 |
_aMaterials _xDefects _xMathematics. |
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| 650 | 0 |
_aMaterials _xTesting _xMathematical models. |
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| 650 | 0 |
_aSemiconductors _xMaterials _xTesting. |
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| 650 | 7 |
_aTECHNOLOGY & ENGINEERING _xMaterial Science. _2bisacsh |
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| 655 | 4 | _aElectronic books. | |
| 700 | 1 | _aAlkauskas, Audrius. | |
| 776 | 0 | 8 |
_iPrint version: _tAdvanced calculations for defects in materials. _dWeinheim : Wiley-VCH, ©2011 _z3527410244 _w(DLC) 2012359010 _w(OCoLC)682895142 |
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_uhttp://onlinelibrary.wiley.com/book/10.1002/9783527638529 _zWiley Online Library [Free Download only for SUST IP] |
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