Full-Potential Electronic Structure Method Energy and Force Calculat
This book covers the theory of electronic structure of materials, with special emphasis on the usage of linear muffin-tin orbitals. Methodological aspects are given in detail as are examples of the method when applied to various materials. Different excha
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solid-state sciences
167
Springer Series in
solid-state sciences Series Editors: M. Cardona P. Fulde K. von Klitzing R. Merlin H.-J. Queisser H. St¨ormer The Springer Series in Solid-State Sciences consists of fundamental scientific books prepared by leading researchers in the field. They strive to communicate, in a systematic and comprehensive way, the basic principles as well as new developments in theoretical and experimental solid-state physics.
Please view available titles in Springer Series in Solid-State Sciences on series homepage http://www.springer.com/series/682
John M. Wills · Mebarek Alouani Per Andersson · Anna Delin Olle Eriksson · Oleksiy Grechnyev
Full-Potential Electronic Structure Method Energy and Force Calculations with Density Functional and Dynamical Mean Field Theory
With 59 Figures
123
John M. Wills Los Alamos National Laboratory Theoretical Division PO Box 1663, Los Alamos, NM 87545, USA E-mail: [email protected] Dr. Per Andersson FOI, Swedish Defence Research Agency Stockholm, Sweden E-mail: [email protected] Professor Olle Eriksson Uppsala University Department of Physics and Astronomy PO Box 516, 75120 Uppsala, Sweden E-mail: [email protected]
Professor Mebarek Alouani Universit´e Strasbourg CNRS-UMR 7504 Institut Physique et Chimie des Mat´eriaux de Strasbourg (IPCMS) rue du Loess 22, 67034 Strasbourg CX2, France E-mail: [email protected] Anna Delin Royal Institute of Technology (KTH) Deptartment of Materials Science and Engineering Brinellv¨agen 23, 100 44 Stockholm, Sweden E-mail: [email protected] Dr. Oleksiy Grechnyev National Academy of Sciences of Ukraine B. Verkin Institute for Low Temperature Physics and Engineering Lenin Ave. 47, 61103 Kharkov, Ukraine E-mail: [email protected]
Series Editors: Professor Dr., Dres. h. c. Manuel Cardona Professor Dr., Dres. h. c. Peter Fulde* Professor Dr., Dres. h. c. Klaus von Klitzing Professor Dr., Dres. h. c. Hans-Joachim Queisser Max-Planck-Institut f¨ur Festk¨orperforschung, Heisenbergstrasse 1, 70569 Stuttgart, Germany * Max-Planck-Institut f¨ur Physik komplexer Systeme, N¨othnitzer Strasse 38 01187 Dresden, Germany Professor Dr. Roberto Merlin Department of Physics, University of Michigan 450 Church Street, Ann Arbor, MI 48109-1040, USA Professor Dr. Horst St¨ormer Dept. Phys. and Dept. Appl. Physics, Columbia University, New York, NY 10027 and Bell Labs., Lucent Technologies, Murray Hill, NJ 07974, USA Springer Series in Solid-State Sciences ISSN 0171-1873 ISBN 978-3-642-15143-9 e-ISBN 978-3-642-15144-6 DOI 10.1007/978-3-642-15144-6
Springer Heidelberg Dordrecht London New York c Springer-Verlag Berlin Heidelberg 2010 This work is subject to copyright. All 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 Cop
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