Density Functional Theory (Hardcover)
Language: English
Published by John Wiley & Sons Inc, New York, 2023
- Hardcover
- New
Seller: Grand Eagle Retail, Bensenville, IL, U.S.A.Grand Eagle Retail
AbeBooks seller since October 12, 2005
Condition: New
£ 122.86
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Add to basketItem description from seller
Hardcover. Density Functional Theory A concise and rigorous introduction to the applications of DFT calculations In the newly revised second edition of Density Functional Theory: A Practical Introduction, the authors deliver a concise and easy-to-follow introduction to the key concepts and practical applications of density functional theory (DFT) with an emphasis on plane-wave DFT. The authors draw on decades of experience in the field, offering students from a variety of backgrounds a balanced approach between accessibility and rigor, creating a text that is highly digestible in its entirety. This new edition: Discusses in more detail the accuracy of DFT calculations and the choice of functionals Adds an overview of the wide range of available DFT codes Contains more examples on the use of DFT for high throughput materials calculations Puts more emphasis on computing phase diagrams and on open ensemble methods widely used in electrochemistry Is significantly extended to cover calculation beyond standard DFT, e.g., dispersion-corrected DFT, DFT+U, time-dependent DFT Perfect for graduate students and postdoctoral candidates in physics and engineering, Density Functional Theory: A Practical Introduction will also earn a place in the libraries of researchers and practitioners in chemistry, materials science, and mechanical engineering. Shipping may be from multiple locations in the US or from the UK, depending on stock availability.…
Seller Inventory # 9781119840862
- Title
- Density Functional Theory (Hardcover)
- Author
- David S. Sholl
- Publisher
- John Wiley & Sons Inc, New York
- Publication year
- 2023
- Condition
- new
- Binding
- Hardcover
- Language
- English
- ISBN 10
- 1119840864
- ISBN 13
- 9781119840862
- Edition
- 2nd Edition
A concise and rigorous introduction to the applications of DFT calculations
In the newly revised second edition of Density Functional Theory: A Practical Introduction, the authors deliver a concise and easy-to-follow introduction to the key concepts and practical applications of density functional theory (DFT) with an emphasis on plane-wave DFT. The authors draw on decades of experience in the field, offering students from a variety of backgrounds a balanced approach between accessibility and rigor, creating a text that is highly digestible in its entirety.
This new edition:
- Discusses in more detail the accuracy of DFT calculations and the choice of functionals
- Adds an overview of the wide range of available DFT codes
- Contains more examples on the use of DFT for high throughput materials calculations
- Puts more emphasis on computing phase diagrams and on open ensemble methods widely used in electrochemistry
- Is significantly extended to cover calculation beyond standard DFT, e.g., dispersion-corrected DFT, DFT+U, time-dependent DFT
Perfect for graduate students and postdoctoral candidates in physics and engineering, Density Functional Theory: A Practical Introduction will also earn a place in the libraries of researchers and practitioners in chemistry, materials science, and mechanical engineering.
"Synopsis" may belong to another edition of this title.
About the Author
David S. Sholl leads the Transformational Decarbonization Initiative at the Oak Ridge National Laboratory and is a Professor of Chemical & Biomolecular Engineering at the Georgia Institute of Technology.
Janice A. Steckel is a Physical Scientist at the United States Department of Energy, National Energy Technology Laboratory in Pittsburgh, Pennsylvania.
"About the title" may belong to another edition of this title.
Grand Eagle Retail
Bensenville, IL, U.S.A.
AbeBooks seller since October 12, 2005
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