Density Functional Theory in Quantum Chemistry

Authors: Tsuneda, Takao

  • Is an unconventional book on DFT based on quantum chemistry
  • Focuses on the bare essentials of DFT that are necessary for the treatment of chemical problems 
  • Presents the details of state-of-the-art functionals, their corrections, and recent interesting topics
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eBook $99.00
price for USA (gross)
  • ISBN 978-4-431-54825-6
  • Digitally watermarked, DRM-free
  • Included format: EPUB, PDF
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Hardcover $129.00
price for USA
  • ISBN 978-4-431-54824-9
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
Softcover $129.00
price for USA
  • ISBN 978-4-431-56344-0
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
About this book

In this book, density functional theory (DFT) is introduced within the overall context of quantum chemistry. DFT has become the most frequently used theory in quantum chemistry calculations. However, thus far, there has been no book on the fundamentals of DFT that uses the terminology and methodology of quantum chemistry, which is familiar to many chemists, including experimentalists. This book first reviews the basic concepts and historical background of quantum chemistry and then explains those of DFT, showing how the latter fits into the bigger picture. Recent interesting topics of DFT in chemistry are also targeted. In particular, the physical meanings of state-of-the-art exchange-correlation functionals and their corrections are described in detail. Owing to its unconventionality, this book is certain to be of great interest not only to chemists but also to solid state physicists.

Table of contents (8 chapters)

Buy this book

eBook $99.00
price for USA (gross)
  • ISBN 978-4-431-54825-6
  • Digitally watermarked, DRM-free
  • Included format: EPUB, PDF
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Hardcover $129.00
price for USA
  • ISBN 978-4-431-54824-9
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
Softcover $129.00
price for USA
  • ISBN 978-4-431-56344-0
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
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Bibliographic Information

Bibliographic Information
Book Title
Density Functional Theory in Quantum Chemistry
Authors
Copyright
2014
Publisher
Springer Japan
Copyright Holder
Springer Japan
eBook ISBN
978-4-431-54825-6
DOI
10.1007/978-4-431-54825-6
Hardcover ISBN
978-4-431-54824-9
Softcover ISBN
978-4-431-56344-0
Edition Number
1
Number of Pages
X, 200
Number of Illustrations and Tables
25 b/w illustrations
Topics