Density Functional Theory: A Practical Introduction

ISBN-13: 9780470373170

ISBN-10: 0470373172

Author: David Sholl, Janice A Steckel

Edition: 1

Publication date:
Hardcover 252 pages
Get cash immediately!
Buy or Rent
On Amazon
from $70.53
FREE shipping on ALL orders


Acknowledged author David Sholl wrote Density Functional Theory: A Practical Introduction comprising 252 pages back in 2009. Textbook and etextbook are published under ISBN 0470373172 and 9780470373170. Since then Density Functional Theory: A Practical Introduction textbook was available to sell back to BooksRun online for the top buyback price of $20.09 or rent at the marketplace.


Demonstrates how anyone in math, science, and engineering can master DFT calculations

Density functional theory (DFT) is one of the most frequently used computational tools for studying and predicting the properties of isolated molecules, bulk solids, and material interfaces, including surfaces. Although the theoretical underpinnings of DFT are quite complicated, this book demonstrates that the basic concepts underlying the calculations are simple enough to be understood by anyone with a background in chemistry, physics, engineering, or mathematics. The authors show how the widespread availability of powerful DFT codes makes it possible for students and researchers to apply this important computational technique to a broad range of fundamental and applied problems.

Density Functional Theory: A Practical Introduction offers a concise, easy-to-follow introduction to the key concepts and practical applications of DFT, focusing on plane-wave DFT. The authors have many years of experience introducing DFT to students from a variety of backgrounds. The book therefore offers several features that have proven to be helpful in enabling students to master the subject, including:

  • Problem sets in each chapter that give readers the opportunity to test their knowledge by performing their own calculations

  • Worked examples that demonstrate how DFT calculations are used to solve real-world problems

  • Further readings listed in each chapter enabling readers to investigate specific topics in greater depth

This text is written at a level suitable for individuals from a variety of scientific, mathematical, and engineering backgrounds. No previous experience working with DFT calculations is needed.