Density Functional Theory: A Practical Introduction

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9780470373170: Density Functional Theory: A Practical Introduction

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.

Les informations fournies dans la section « Synopsis » peuvent faire référence à une autre édition de ce titre.

About the Author :

David S. Sholl is a Professor of Chemical & Biomolecular Engineering at the Georgia Institute of Technology, where he holds the Michael Tennenbaum Family Chair and is a GRA Eminent Scholar in Energy Sustainability.

Janice A. Steckel is a Physical Scientist at the U.S. Department of Energy, National Energy Technology Laboratory in Pittsburgh, Pennsylvania.

Les informations fournies dans la section « A propos du livre » peuvent faire référence à une autre édition de ce titre.

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Sholl, David; Steckel, Janice A
Edité par Wiley-Interscience (2009)
ISBN 10 : 0470373172 ISBN 13 : 9780470373170
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Description du livre Wiley-Interscience, 2009. Hardcover. État : New. Estimated delivery 3-6 DAYS. New and ship via DHL with online tracking provided. NO P.O BOX/ APO/ FPO. Thank you. N° de réf. du libraire 9780470373170

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Sholl, David; Steckel, Janice A
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David Sholl, Janice A. Steckel
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Description du livre John Wiley and Sons Ltd, United States, 2009. Hardback. État : New. 1. Auflage. Language: English . Brand New Book. This resource provides a brief, readable introduction to the key concepts and practical applications of density functional theory (DFT), at a level suitable for individuals from a variety of scientific backgrounds whom have never performed DFT calculations before. It includes numerous exercises and worked examples for self study, as well as lists of references to more detailed sources for the topics covered. The text is especially well-suited for students and researchers who want to use DFT in their work, but who do not require extensive knowledge of theory and mathematical details. N° de réf. du libraire AAH9780470373170

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David Sholl, Janice A. Steckel
Edité par John Wiley and Sons Ltd, United States (2009)
ISBN 10 : 0470373172 ISBN 13 : 9780470373170
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Description du livre John Wiley and Sons Ltd, United States, 2009. Hardback. État : New. 1. Auflage. Language: English . Brand New Book. This resource provides a brief, readable introduction to the key concepts and practical applications of density functional theory (DFT), at a level suitable for individuals from a variety of scientific backgrounds whom have never performed DFT calculations before. It includes numerous exercises and worked examples for self study, as well as lists of references to more detailed sources for the topics covered. The text is especially well-suited for students and researchers who want to use DFT in their work, but who do not require extensive knowledge of theory and mathematical details. N° de réf. du libraire AAH9780470373170

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Description du livre John Wiley and Sons Ltd. Hardback. État : new. BRAND NEW, Density Functional Theory: A Practical Introduction, David Sholl, Janice A. Steckel, This resource provides a brief, readable introduction to the key concepts and practical applications of density functional theory (DFT), at a level suitable for individuals from a variety of scientific backgrounds whom have never performed DFT calculations before. It includes numerous exercises and worked examples for self study, as well as lists of references to more detailed sources for the topics covered. The text is especially well-suited for students and researchers who want to use DFT in their work, but who do not require extensive knowledge of theory and mathematical details. N° de réf. du libraire B9780470373170

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David Sholl, Janice A. Steckel
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Description du livre John Wiley and Sons Ltd, United States, 2009. Hardback. État : New. 1. Auflage. Language: English . This book usually ship within 10-15 business days and we will endeavor to dispatch orders quicker than this where possible. Brand New Book. This resource provides a brief, readable introduction to the key concepts and practical applications of density functional theory (DFT), at a level suitable for individuals from a variety of scientific backgrounds whom have never performed DFT calculations before. It includes numerous exercises and worked examples for self study, as well as lists of references to more detailed sources for the topics covered. The text is especially well-suited for students and researchers who want to use DFT in their work, but who do not require extensive knowledge of theory and mathematical details. N° de réf. du libraire BZV9780470373170

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