Optical Response of Semiconductor Surfaces and Molecules Calculated from First Principles
First-principles pseudopotential calculations on the optical anisotropy of GaAs(OOl) surfaces and on the optical absorption of of DNA base molecules are presented. It is found that both electronic surface states as well as surface-perturbed bulk wave func
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Springer-Verlag Berlin Heidelberg GmbH
Siegfried Wagner . Werner Hanke Arndt Bode . Franz Durst Editors
High Performance Computing in Science and Engineering, Munieh 2002 Transactions of the First Joint HLRB and KONWIHR Status and Result Workshop, October 10-11,2002, Technical University of Munich, Germany
With 253 Figures, 79 in Color, and 50 Tables
Springer
Editors Siegfried Wagner
Werner Hanke
Institut fiir Aerodynamik und Gasdynamik Universităt Stuttgart Pfaffenwaldring 21 70550 Stuttgart, Germany e-mail: [email protected]
Institut fiir Theoretische Physik und Astrophysik Universităt Wiirzburg Am Hubland 97074 Wiirzburg, Germany e-mail: [email protected]
Arndt Bode
Franz Durst
Lehrstuhl fiir Rechnertechnik und Rechnerorganisation Institut fiir Informatik Technische Universităt Miinchen BoltzmannstraBe 3 85748 Garching, Germany e-mail: [email protected]
Lehrstuhl fiir Strămungsmechanik Friedrich-Alexander- Universităt Erlangen-Niirnberg CauerstraBe 4 91058 Erlangen, Germany e-mail: [email protected]
Cataloging-in-Publication Data applied for Bibliographic informat ion published by Die Deutsche Bibliothek Die Deutsche Bibliothek lists this publication in the Deutsche Nationalbibliografie; detailed bibliographic data is available in the Internet at .
Mathematics Subject Classification (2000): 65Cxx, 65K05, 68M20, 70-08, 70Fxx, 74FlO, 74F15, 74L99, 76-04, 76G25, 76Txx, 81-04, 81-08, 81V05, 81VlO, 83-04, 85-08, 85A40, 86-04, 86A15, 92-04, 92Exx ISBN 978-3-642-62446-9 ISBN 978-3-642-55526-8 (eBook) DOI 10.1007/978-3-642-55526-8 This work is subject to copyright. Ali rights are reserved, whether the whole or part of the material is concerned, specifically the rights of translation, reprinting, reuse of illustrations, recitation, broadcasting, reproduction on microfilm or in any other way, and storage in data banks. Duplication of this publication or parts thereof is permitted only under the provisions of the German Copyright Law of September 9, 1965, in its current version, and permis sion for use must always be obtained from Springer-Verlag. Violations are liable for prosecution under the German Copyright Law. http://www.springer.de © Springer-Verlag Berlin Heidelberg 2003
Originally published by Springer-Verlag Berlin Heidelberg New York in 2003 The use of general descriptive names, registered names, trademarks, etc. in this publication does not imply, even in the absence of a specific statement, that such names are exempt from the relevant protective laws and regulations and therefore free for general use. Typeset by the authors using a Springer TJlX macro package Cover design: design & production GmbH, Heidelberg Printed on acid-free paper
46/3142/LK - 543210
Preface
High-Performance Computers (HPC) have initiated a revolutionary development in research and technology since many complex and challenging problems in this area can only be solved by HPC and a network in modeling , algorithms and software. In 1998 the Deutsche Forschungsgemeinschaft (German Research Associ
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