Density Functional Theory: A Practical Introduction - Erstausgabe

EAN (ISBN-13): 9780470373170
ISBN (ISBN-10): 0470373172
Gebundene Ausgabe
Erscheinungsjahr: 2009
Herausgeber: Wiley-Interscience
238 Seiten
Gewicht: 0,544 kg
Sprache: eng/Englisch

Buch in der Datenbank seit 2008-05-18T20:36:14+02:00 (Berlin)
Detailseite zuletzt geändert am 2024-01-03T13:52:42+01:00 (Berlin)
ISBN/EAN: 0470373172

ISBN - alternative Schreibweisen:
0-470-37317-2, 978-0-470-37317-0
Alternative Schreibweisen und verwandte Suchbegriffe:
Autor des Buches: steckel, sholl
Titel des Buches: solids, cal, density functional theory practical introduction

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Daten vom Verlag:

Autor/in: David Sholl; Janice A Steckel
Titel: Density Functional Theory - A Practical Introduction
Verlag: John Wiley & Sons
252 Seiten
Erscheinungsjahr: 2009-04-29
Gewicht: 0,480 kg
Sprache: Englisch
122,00 € (DE)
No longer receiving updates
158mm x 241mm x 19mm

BB; Hardcover, Softcover / Chemie; Materialwissenschaft; Chemie; Chemistry; Computational Chemistry & Molecular Modeling; Computational Chemistry u. Molecular Modeling; Dünne Schichten, Oberflächen u. Grenzflächen; Materials Science; Materialwissenschaften; Materialwissenschaften / Theorie, Modellierung u. Simulation; Theory, Modeling & Simulation; Thin Films, Surfaces & Interfaces; Computational Chemistry u. Molecular Modeling; Dünne Schichten, Oberflächen u. Grenzflächen; Materialwissenschaften / Theorie, Modellierung u. Simulation

Demonstrates how anyone in math, science, and engineering can master DFT calculations Density functional theory (DFT) is one of the most frequently used computational tools for studying and predicting the properties of isolated molecules, bulk solids, and material interfaces, including surfaces. Although the theoretical underpinnings of DFT are quite complicated, this book demonstrates that the basic concepts underlying the calculations are simple enough to be understood by anyone with a background in chemistry, physics, engineering, or mathematics. The authors show how the widespread availability of powerful DFT codes makes it possible for students and researchers to apply this important computational technique to a broad range of fundamental and applied problems. Density Functional Theory: A Practical Introduction offers a concise, easy-to-follow introduction to the key concepts and practical applications of DFT, focusing on plane-wave DFT. The authors have many years of experience introducing DFT to students from a variety of backgrounds. The book therefore offers several features that have proven to be helpful in enabling students to master the subject, including: * Problem sets in each chapter that give readers the opportunity to test their knowledge by performing their own calculations * Worked examples that demonstrate how DFT calculations are used to solve real-world problems * Further readings listed in each chapter enabling readers to investigate specific topics in greater depth This text is written at a level suitable for individuals from a variety of scientific, mathematical, and engineering backgrounds. No previous experience working with DFT calculations is needed.