000			04790cam a2200553Ia 4500
001			ocn739118526
003			OCoLC
005			20171116135947.0
006			m o d
007			cr cn|||||||||
008			110706s2011 gw a ob 001 0 eng d
020			_a9783527638529 _q(electronic bk.)
020			_a3527638520 _q(electronic bk.)
020			_a9783527638543 _q(electronic bk.)
020			_a3527638547 _q(electronic bk.)
020			_z9783527410248 _q(hbk. ; _qacid-free paper)
020			_z3527410244 _q(hbk. ; _qacid-free paper)
024	8		_a9786613173652
029	1		_aAU@ _b000047774162
029	1		_aDEBSZ _b372695973
029	1		_aNZ1 _b14146247
029	1		_aNZ1 _b15340673
029	1		_aDEBBG _bBV043393303
035			_a(OCoLC)739118526 _z(OCoLC)745970610 _z(OCoLC)747412455
037			_a10.1002/9783527638529 _bWiley InterScience _nhttp://www3.interscience.wiley.com
040			_aDG1 _beng _epn _cDG1 _dCDX _dE7B _dOCLCQ _dEUN _dGZM _dDEBSZ _dOCLCQ _dYDXCP _dN$T _dOCLCO _dCOO _dOCLCQ _dOCLCO _dOCLCQ _dOCLCO _dDEBBG
049			_aMAIN
050		4	_aTA418.5 _b.A38 2011
072		7	_aTEC _x021000 _2bisacsh
082	0	4	_a620.1/1 _223
245	0	0	_aAdvanced calculations for defects in materials : electronic structure methods / _cedited by Audrius Alkauskas [and others]. _h[electronic resource]
260			_aWeinheim : _bWiley-VCH, _c©2011.
300			_a1 online resource (xviii, 384 pages) : _billustrations
336			_atext _btxt _2rdacontent
337			_acomputer _bc _2rdamedia
338			_aonline resource _bcr _2rdacarrier
504			_aIncludes bibliographical references and index.
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.
588	0		_aPrint version record.
650		0	_aMaterials _xDefects _xMathematics.
650		0	_aMaterials _xTesting _xMathematical models.
650		0	_aSemiconductors _xMaterials _xTesting.
650		7	_aTECHNOLOGY & ENGINEERING _xMaterial Science. _2bisacsh
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
856	4	0	_uhttp://onlinelibrary.wiley.com/book/10.1002/9783527638529 _zWiley Online Library
942			_2ddc _cBK
999			_c205166 _d205166