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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)
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)
Reseña del editor
This book is an introduction to the quantum theory of materials and first-principles computational materials modelling. It explains how to use density functional theory as a practical tool for calculating the properties of materials without using any empirical parameters. The structural, mechanical, optical, electrical, and magnetic properties of materials are described within a single unified conceptual framework, rooted in the Schrödinger equation of quantum mechanics, and powered by density functional theory.
This book is intended for senior undergraduate and first-year graduate students in materials science, physics, chemistry, and engineering who are approaching for the first time the study of materials at the atomic scale. The inspiring principle of the book is borrowed from one of the slogans of the Perl programming language, 'Easy things should be easy and hard things should be possible'. Following this philosophy, emphasis is placed on the unifying concepts, and on the frequent use of simple heuristic arguments to build on one's own intuition. The presentation style is somewhat cross disciplinary; an attempt is made to seamlessly combine materials science, quantum mechanics, electrodynamics, and numerical analysis, without using a compartmentalized approach. Each chapter is accompanied by an extensive set of references to the original scientific literature and by exercises where all key steps and final results are indicated in order to facilitate learning. This book can be used either as a complement to the quantum theory of materials, or as a primer in modern techniques of computational materials modelling using density functional theory.
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- EditorialOxford University Press (UK)
- Año de publicación2010
- ISBN 10 0199662436
- ISBN 13 9780199662432
- EncuadernaciónTapa dura
- IdiomaInglés
- Número de páginas304
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Materials Modelling Using Density Functional Theory : Properties and Predictions
Publicado por
Oxford University Press, 2014
ISBN 10: 0199662436
ISBN 13: 9780199662432
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Librería: GreatBookPrices, Columbia, MD, Estados Unidos de America
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Materials Modelling using Density Functional Theory (Hardcover)
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Oxford University Press, Oxford, 2014
ISBN 10: 0199662436
ISBN 13: 9780199662432
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Librería: Grand Eagle Retail, Fairfield, OH, Estados Unidos de America
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Hardcover. Condición: new. Hardcover. This book is an introduction to the quantum theory of materials and first-principles computational materials modelling. It explains how to use density functional theory as a practical tool for calculating the properties of materials without using any empirical parameters. The structural, mechanical, optical, electrical, and magnetic properties of materials are described within a single unified conceptual framework, rooted in the Schroedinger equation of quantummechanics, and powered by density functional theory. This book is intended for senior undergraduate and first-year graduate students in materials science, physics, chemistry, andengineering who are approaching for the first time the study of materials at the atomic scale. The inspiring principle of the book is borrowed from one of the slogans of the Perl programming language, 'Easy things should be easy and hard things should be possible'. Following this philosophy, emphasis is placed on the unifying concepts, and on the frequent use of simple heuristic arguments to build on one's own intuition. The presentation style is somewhat cross disciplinary; an attempt is madeto seamlessly combine materials science, quantum mechanics, electrodynamics, and numerical analysis, without using a compartmentalized approach. Each chapter is accompanied by an extensive set ofreferences to the original scientific literature and by exercises where all key steps and final results are indicated in order to facilitate learning. This book can be used either as a complement to the quantum theory of materials, or as a primer in modern techniques of computational materials modelling using density functional theory. The book explains the fundamental ideas of density functional theory, and how this theory can be used as a powerful method for explaining and even predicting the properties of materials with stunning accuracy. Shipping may be from multiple locations in the US or from the UK, depending on stock availability. Nº de ref. del artículo: 9780199662432
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Materials Modelling using Density Functional Theory
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ISBN 10: 0199662436
ISBN 13: 9780199662432
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Materials Modelling using Density Functional Theory
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ISBN 13: 9780199662432
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Materials Modelling using Density Functional Theory: Properties and Predictions
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Materials Modelling Using Density Functional Theory : Properties and Predictions
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Materials Modelling Using Density Functional Theory : Properties and Predictions
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ISBN 13: 9780199662432
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Materials Modelling using Density Functional Theory: Properties and Predictions
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ISBN 10: 0199662436
ISBN 13: 9780199662432
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Materials Modelling Using Density Functional Theory : Properties and Predictions
Publicado por
Oxford University Press, 2014
ISBN 10: 0199662436
ISBN 13: 9780199662432
Antiguo o usado
Tapa dura
Librería: GreatBookPricesUK, Woodford Green, Reino Unido
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Condición: As New. Unread book in perfect condition. Nº de ref. del artículo: 20898626
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Materials Modelling using Density Functional Theory (Hardcover)
Publicado por
Oxford University Press, Oxford, 2014
ISBN 10: 0199662436
ISBN 13: 9780199662432
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Librería: CitiRetail, Stevenage, Reino Unido
Calificación del vendedor: 5 de 5 estrellas
Hardcover. Condición: new. Hardcover. This book is an introduction to the quantum theory of materials and first-principles computational materials modelling. It explains how to use density functional theory as a practical tool for calculating the properties of materials without using any empirical parameters. The structural, mechanical, optical, electrical, and magnetic properties of materials are described within a single unified conceptual framework, rooted in the Schroedinger equation of quantummechanics, and powered by density functional theory. This book is intended for senior undergraduate and first-year graduate students in materials science, physics, chemistry, andengineering who are approaching for the first time the study of materials at the atomic scale. The inspiring principle of the book is borrowed from one of the slogans of the Perl programming language, 'Easy things should be easy and hard things should be possible'. Following this philosophy, emphasis is placed on the unifying concepts, and on the frequent use of simple heuristic arguments to build on one's own intuition. The presentation style is somewhat cross disciplinary; an attempt is madeto seamlessly combine materials science, quantum mechanics, electrodynamics, and numerical analysis, without using a compartmentalized approach. Each chapter is accompanied by an extensive set ofreferences to the original scientific literature and by exercises where all key steps and final results are indicated in order to facilitate learning. This book can be used either as a complement to the quantum theory of materials, or as a primer in modern techniques of computational materials modelling using density functional theory. The book explains the fundamental ideas of density functional theory, and how this theory can be used as a powerful method for explaining and even predicting the properties of materials with stunning accuracy. Shipping may be from our UK warehouse or from our Australian or US warehouses, depending on stock availability. Nº de ref. del artículo: 9780199662432
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