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ELECTRONIC STRUCTURE CALCULATIONS: SERIES IN COMPUTATIONAL PHYSIC

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en Limba Engleză Hardback – 6 ian 2020
A Primer on Augmented Plane Wave and TightBinding Methods. This book provides an overview on electronic structure methods based on density functional theory, namely the augmented plane wave APW and the tight-binding methods. The authors present the codes in the context of basic condensed matter concepts and theory. It begins with an introduction to the theory involved in applying density functional theory to solving the Schrodinger equation for solids. The second section covers APW with detailed instructions on how to use the methods. The last part focuses on tight-binding, explaining how parameters are determined, how
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Specificații

ISBN-13: 9781138298484
ISBN-10: 1138298484
Pagini: 416
Editura: Taylor & Francis
Seria SERIES IN COMPUTATIONAL PHYSIC