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Feliciano Giustin Materials Modelling using Density Functional Theor (Paperback)

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Item specifics

Condition
Brand New: A new, unread, unused book in perfect condition with no missing or damaged pages. See the ...
Book Title
Materials Modelling using Density Functional Theory
Publication Name
Materials Modelling Using Density Functional Theory : Properties and Predictions
Title
Materials Modelling using Density Functional Theory
Subtitle
Properties and Predictions
Author
Feliciano Giustino
Format
Trade Paperback
ISBN-10
0199662444
EAN
9780199662449
ISBN
9780199662449
Publisher
Oxford University Press, Incorporated
Genre
Science Nature & Math
Topic
Technology & Engineering
Release Year
2014
Release Date
15/05/2014
Language
English
Country/Region of Manufacture
GB
Item Height
0.8in
Item Length
9.7in
Item Width
6.9in
Item Weight
0 Oz
Publication Year
2014
Type
Textbook
Number of Pages
304 Pages

About this product

Product Information

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.

Product Identifiers

Publisher
Oxford University Press, Incorporated
ISBN-10
0199662444
ISBN-13
9780199662449
eBay Product ID (ePID)
203446959

Product Key Features

Author
Feliciano Giustino
Publication Name
Materials Modelling Using Density Functional Theory : Properties and Predictions
Format
Trade Paperback
Language
English
Publication Year
2014
Type
Textbook
Number of Pages
304 Pages

Dimensions

Item Length
9.7in
Item Height
0.8in
Item Width
6.9in
Item Weight
0 Oz

Additional Product Features

Lc Classification Number
Ta403.6
Reviews
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 magneticproperties. A book that should be on the shelves of every library in Materials Science and Engineering, Physics and Chemistry departments., '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 andmagnetic 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 idealfor a graduate-level student with a grounding in quantum mechanics, and could be tackled in an undergraduate course.'Graeme Ackland, University of Edinburgh
Table of Content
1. Computational materials modelling from first principles2. Many-body Schrödinger equation3. Density-functional theory4. Equilibrium structures of materials: fundamentals5. Equilobrium structures of materials: calculation vs. experiment6. Elastic properties of materials7. Vibrations of molecules and solids8. Phonons, vibrational spectroscopy, and thermodynamics9. Band structures and photoelectron spectroscopy10. Dielectric function and optical spectra11. Density-functional theory and magnetic materialsAppendix A: Derivation of the Hartree-Fock equationsAppendix B: Derivation of the Kohn-Sham equationsAppendix C: Numerical solution of the Kohn-Sham equationsAppendix D: Reciprocal lattice and Brillouin zoneAppendix E: Pseudopotentials, 1. Computational materials modelling from first principles2. Many-body Schrodinger equation3. Density-functional theory4. Equilibrium structures of materials: fundamentals5. DFT calculations of equilibrium structures6. Elastic properties of materials7. Vibrations of molecules and solids8. Phonons, vibrational spectroscopy, and thermodynamics9. Band structures and photoelectron spectroscopy10. Dielectric function and optical spectra11. Density-functional theory and magnetic materialsAppendix A: Derivation of the Hartree-Fock equationsAppendix B: Derivation of the Kohn-Sham equationsAppendix C: Numerical solution of the Kohn-Sham equationsAppendix D: Reciprocal lattice and Brillouin zoneAppendix E: Pseudopotentials
Copyright Date
2014
Topic
Materials Science / General, Functional Analysis, General, Physics / Mathematical & Computational
Dewey Decimal
620.11015118
Intended Audience
Scholarly & Professional
Dewey Edition
23
Illustrated
Yes
Genre
Technology & Engineering, Science, Mathematics

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