The DV-Xα Molecular-Orbital Calculation Method

Editors: Ishii, T., Wakita, H., Ogasawara, K., Kim, Y.-S. (Eds.)

  • Includes advanced reviews on the DV-Xα method
  • Describes future applications in materials science and spectroscopy
  • Features historical developments
  • Contributors from academia and industry α method
  • Describes future applications in materials science and spectroscopy
  • Features historical developments
  • Contributors from academia and industry
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Buy this book

eBook $139.00
price for USA (gross)
  • ISBN 978-3-319-11185-8
  • Digitally watermarked, DRM-free
  • Included format: EPUB, PDF
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Hardcover $179.00
price for USA
  • ISBN 978-3-319-11184-1
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
Softcover $179.00
price for USA
  • Customers within the U.S. and Canada please contact Customer Service at 1-800-777-4643, Latin America please contact us at +1-212-460-1500 (Weekdays 8:30am – 5:30pm ET) to place your order.
  • Due: August 31, 2016
  • ISBN 978-3-319-36437-7
  • Free shipping for individuals worldwide
About this book

This multi-author contributed volume contains chapters featuring the development of the DV-Xα method and its application to a variety of problems in Materials Science and Spectroscopy written by leaders of the respective fields. The volume contains a Foreword written by the Chairs of Japanese and Korea DV-X alpha Societies. This book is aimed at individuals working in Quantum Chemistry.

About the authors

Prof. Dr. Tomohiko ISHII is based at the Department of Advanced Materials Science
Faculty of Engineering, Kagawa University, Japan. He has published 166 articles.

Membership in Societies:
The Physical Society of Japan
The Chemical Society of Japan
Japan Society of Coordination Chemistry
The Society for Discrete Variational X Alpha

Table of contents (14 chapters)

  • The DV-Xα Molecular Orbital Calculation Method and Recent Development

    Kowada, Yoshiyuki (et al.)

    Pages 3-23

  • Algebraic Molecular Orbital Theory

    Yasui, Jun

    Pages 27-47

  • Analytical Expression of Molecular Integrals over Slater-Type Functions for Generating Their Polynomial Expressions

    Yasui, Jun

    Pages 49-106

  • Atom-Atom Interaction Potential from the Gaussian Quadrature Method and Classical Molecular Dynamics

    Fukushima, Kimichika

    Pages 107-133

  • Comparison of Contributions to Interatomic Interactions Between Covalent and Ionic Bonds from Total Energy Calculations

    Fukushima, Kimichika

    Pages 135-139

Buy this book

eBook $139.00
price for USA (gross)
  • ISBN 978-3-319-11185-8
  • Digitally watermarked, DRM-free
  • Included format: EPUB, PDF
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Hardcover $179.00
price for USA
  • ISBN 978-3-319-11184-1
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
Softcover $179.00
price for USA
  • Customers within the U.S. and Canada please contact Customer Service at 1-800-777-4643, Latin America please contact us at +1-212-460-1500 (Weekdays 8:30am – 5:30pm ET) to place your order.
  • Due: August 31, 2016
  • ISBN 978-3-319-36437-7
  • Free shipping for individuals worldwide
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Bibliographic Information

Bibliographic Information
Book Title
The DV-Xα Molecular-Orbital Calculation Method
Editors
  • Tomohiko Ishii
  • Hisanobu Wakita
  • Kazuyoshi Ogasawara
  • Yang-Soo Kim
Copyright
2015
Publisher
Springer International Publishing
Copyright Holder
Springer International Publishing Switzerland
eBook ISBN
978-3-319-11185-8
DOI
10.1007/978-3-319-11185-8
Hardcover ISBN
978-3-319-11184-1
Softcover ISBN
978-3-319-36437-7
Edition Number
1
Number of Pages
X, 361
Number of Illustrations and Tables
146 b/w illustrations, 59 illustrations in colour
Topics