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OverviewFull Product DetailsAuthor: Feliciano Giustino (, Associate Professor of Materials Modelling, Department of Materials, University of Oxford)Publisher: Oxford University Press Imprint: Oxford University Press Dimensions: Width: 17.50cm , Height: 2.00cm , Length: 24.60cm Weight: 0.589kg ISBN: 9780199662449ISBN 10: 0199662444 Pages: 304 Publication Date: 15 May 2014 Audience: College/higher education , Undergraduate , Postgraduate, Research & Scholarly Format: Paperback Publisher's Status: Active Availability: To order ![]() Stock availability from the supplier is unknown. We will order it for you and ship this item to you once it is received by us. Table of Contents1: Computational materials modelling from first principles 2: Many-body Schrödinger equation 3: Density-functional theory 4: Equilibrium structures of materials: fundamentals 5: Equilobrium structures of materials: calculation vs. experiment 6: Elastic properties of materials 7: Vibrations of molecules and solids 8: Phonons, vibrational spectroscopy, and thermodynamics 9: Band structures and photoelectron spectroscopy 10: Dielectric function and optical spectra 11: Density-functional theory and magnetic materials Appendix A: Derivation of the Hartree-Fock equations Appendix B: Derivation of the Kohn-Sham equations Appendix C: Numerical solution of the Kohn-Sham equations Appendix D: Reciprocal lattice and Brillouin zone Appendix E: PseudopotentialsReviewsAt last an undergraduate/graduate textbook that demonstrates the power of density functional theory not only to help interpret experimental data but also to predict the properties of new materials. Each chapter is lucidly presented with heuristic, intuitive arguments leading to the main ideas before numerous examples illustrate the often remarkable accuracy of density functional theory over a wide range of electronic, structural, mechanical, optical and magnetic properties. A book that should be on the shelves of every library in Materials Science and Engineering, Physics and Chemistry departments. David Pettifor, University of Oxford The density functional theory has finally brought quantum mechanics into materials science. Its proven ability to produce correct predictions of properties of real materials means that it has taken over as the premier method in solid state materials, ultimately because of its suitability as a numerical method. While traditional books still build from analytically tractable models, this book reflects more accurately current practice. The book will be ideal for a graduate-level student with a grounding in quantum mechanics, and could be tackled in an undergraduate course. Graeme Ackland, University of Edinburgh The density functional theory has finally brought quantum mechanics into materials science. Its proven ability to produce correct predictions of properties of real materials means that it has taken over as the premier method in solid state materials, ultimately because of its suitability as a numerical method. While traditional books still build from analytically tractable models, this book reflects more accurately current practice. The book will be ideal for a graduate-level student with a grounding in quantum mechanics, and could be tackled in an undergraduate course. * Graeme Ackland, University of Edinburgh * At last an undergraduate/graduate textbook that demonstrates the power of density functional theory not only to help interpret experimental data but also to predict the properties of new materials. Each chapter is lucidly presented with heuristic, intuitive arguments leading to the main ideas before numerous examples illustrate the often remarkable accuracy of density functional theory over a wide range of electronic, structural, mechanical, optical and magnetic properties. A book that should be on the shelves of every library in Materials Science and Engineering, Physics and Chemistry departments. * David Pettifor, University of Oxford * Author InformationFeliciano Giustino is an Associate Professor of Materials Modelling in the Department of Materials at the University of Oxford, the co-Director of the Materials Modelling Laboratory, and Associate Editor of the European Physical Journal B. He holds an MSc in Nuclear Engineering from the Politecnico di Torino, a PhD in Physics from the Ecole Polytechnique Fédérale de Lausanne, and before joining the Department of Materials at Oxford he was a researcher in the Department of Physics at the University of California at Berkeley. His research team specializes in the computational modelling of nanomaterials and the development of methods for electronic structure calculations. He has been recipient of the European Research Council Starting Grant and of the Leverhulme Research Leadership Award. Besides his research work, he teaches two undergraduate courses on the quantum theory of materials at the University of Oxford. Tab Content 6Author Website:Countries AvailableAll regions |