Items related to Density Functional Theory: A Practical Introduction
- PublisherWiley
- Publication date2023
- ISBN 10 1119840864
- ISBN 13 9781119840862
- BindingHardcover
- LanguageEnglish
- Edition number2
- Number of pages224
- Rating
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Density Functional Theory: A Practical Introduction
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Density Functional Theory : A Practical Introduction
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DENSITY FUNCTIONAL THEORY
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Density Functional Theory - A Practical Introduction, 2nd Edition
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Density Functional Theory : A Practical Introduction
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Density Functional Theory: A Practical Introduction
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Density Functional Theory (Hardcover)
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John Wiley & Sons Inc, New York, 2022
ISBN 10: 1119840864
ISBN 13: 9781119840862
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Hardcover. Condition: new. 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
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Density Functional Theory â" A Practical Introduction, 2nd Edition
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