Density Functional Theory - A Practical Introduction, 2nd Edition by Sholl


Authors
Sholl
ISBN
9781119840862
Published
Binding
Hardcover
Dimensions
178 x 254 x 14mm

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.
 ... Read more
231.99


This product is unable to be ordered online. Please check in-store availability.
Enter your Postcode or Suburb to view availability and delivery times.


RRP refers to the Recommended Retail Price as set out by the original publisher at time of release.
The RRP set by overseas publishers may vary to those set by local publishers due to exchange rates and shipping costs.
Due to our competitive pricing, we may have not sold all products at their original RRP.