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Density Functional Theory: A Practical Introductio n, 2nd Edition

Jezik AngleščinaAngleščina
Knjiga Trda
Knjiga Density Functional Theory: A Practical Introductio n, 2nd Edition David Sholl
Koda Libristo: 38748008
Založba John Wiley and Sons Ltd, april 2023
A concise and rigorous introduction to the applications of DFT calculationsIn the newly revised seco... Celoten opis
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124.20 €
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A concise and rigorous introduction to the applications of DFT calculationsIn 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 DFTPerfect 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.

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O knjigi

Polni naslov Density Functional Theory: A Practical Introductio n, 2nd Edition
Jezik Angleščina
Vezava Knjiga - Trda
Datum izida 2023
Število strani 240
EAN 9781119840862
ISBN 1119840864
Koda Libristo 38748008
Teža 666
Mere 178 x 254 x 14
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