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: 643.97 RON
Availability: InStock

Autor: David Sholl, Janice A Steckel

Limbă:

Legare: Copertă tare

Editura: John Wiley and Sons Ltd

Disponibilitate: În depozitul extern

Expediem în 10-18 zile

643.97 lei

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

Informații despre carte

Autor

David Sholl, Janice A Steckel

Limbă

engleză

Legare

Carte - Copertă tare

Publicat

2023

Pagini

240

EAN

9781119840862

ISBN

1119840864

Enbook ID

38748008

Editura

John Wiley and Sons Ltd

Greutate

666

Dimensiuni

178 x 254 x 14

Descriere completă

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.

S-ar putea să te intereseze

Clienții care au cumpărat această carte au mai cumpărat și

Cele mai căutate

Categories

Authors

Publishers

Produse

Produse

Cele mai căutate

Categories

Authors

Publishers

Produse

Produse

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

Informații despre carte

Descriere completă

S-ar putea să te intereseze

Clienții care au cumpărat această carte au mai cumpărat și