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

Name: Density Functional Theory: A Practical Introductio n, 2nd Edition
Brand: John Wiley and Sons Ltd
SKU: 9781119840862
Price: 2818 CZK
Availability: InStock

Autor: David Sholl, Janice A Steckel

Jazyk:

Vazba: Pevná

Vydavatel: John Wiley and Sons Ltd

Dostupnost: Skladem u dodavatele

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2 818 Kč

A concise and rigorous introduction to the applications of DFT calculationsIn the newly revised seco...

Informace o knize

Autor

David Sholl, Janice A Steckel

Jazyk

Angličtina

Vazba

Kniha - Pevná

Vydáno

2023

Stránek

240

EAN

9781119840862

ISBN

1119840864

Enbook ID

38748008

Vydavatel

John Wiley and Sons Ltd

Hmotnost

666

Rozměry

178 x 254 x 14

Kompletní popis

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

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