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Springer Series in Materials Science

Hartree-Fock-Slater Method for Materials Science

The DV-X Alpha Method for Design and Characterization of Materials

Editors: Adachi, Hirohiko, Mukoyama, Takeshi, Kawai, Jun (Eds.)

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eBook 96,29 €
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  • ISBN 978-3-540-31297-0
  • Digitally watermarked, DRM-free
  • Included format: PDF
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  • Immediate eBook download after purchase
Hardcover 176,79 €
price for Spain (gross)
  • ISBN 978-3-540-24508-7
  • Free shipping for individuals worldwide
  • Institutional customers should get in touch with their account manager
  • Covid-19 shipping restrictions
  • Usually ready to be dispatched within 3 to 5 business days, if in stock
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Softcover 124,79 €
price for Spain (gross)
  • ISBN 978-3-642-06384-8
  • Free shipping for individuals worldwide
  • Institutional customers should get in touch with their account manager
  • Covid-19 shipping restrictions
  • Usually ready to be dispatched within 3 to 5 business days, if in stock
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About this book

Molecular-orbital calculations for materials design such as alloys, ceramics, and coordination compounds are now possible for experimentalists. Molecuar-orbital calculations for the interpretation of chemical effect of spectra are also possible for experimentalists. The most suitable molecular-orbital calculation method for these purpose is the DV-Xa method, which is robust in such a way that the calculation converges to a result even if the structure of the molecule or solid is impossible in the pressure and temperature ranges on earth. This book specially addresses the methods to design novel materials and to predict the spectrallline shape of unknown materials using the DV-Xa molecular-orbital method, but is also useful for those who want to calculate electronic structures of materials using any kind of method.

Table of contents (10 chapters)

Table of contents (10 chapters)
  • DV-Xα Method and Molecular Structure

    Pages 3-20

    Adachi, Hirohiko

  • Alloy Design Based on the DV-Xα Cluster Method

    Pages 23-48

    Morinaga, Masahiko (et al.)

  • Chemical Bonding Around Lattice Imperfections in 3d-Transition Metal Compounds

    Pages 49-84

    Mizuno, Masataka

  • Ceramics

    Pages 85-120

    Kamiya, T. (et al.)

  • Magnetic Properties

    Pages 121-127

    Fukushima, Kimichika

Buy this book

eBook 96,29 €
price for Spain (gross)
  • ISBN 978-3-540-31297-0
  • Digitally watermarked, DRM-free
  • Included format: PDF
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Hardcover 176,79 €
price for Spain (gross)
  • ISBN 978-3-540-24508-7
  • Free shipping for individuals worldwide
  • Institutional customers should get in touch with their account manager
  • Covid-19 shipping restrictions
  • Usually ready to be dispatched within 3 to 5 business days, if in stock
  • The final prices may differ from the prices shown due to specifics of VAT rules
Softcover 124,79 €
price for Spain (gross)
  • ISBN 978-3-642-06384-8
  • Free shipping for individuals worldwide
  • Institutional customers should get in touch with their account manager
  • Covid-19 shipping restrictions
  • Usually ready to be dispatched within 3 to 5 business days, if in stock
  • The final prices may differ from the prices shown due to specifics of VAT rules
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Bibliographic Information

Bibliographic Information
Book Title
Hartree-Fock-Slater Method for Materials Science
Book Subtitle
The DV-X Alpha Method for Design and Characterization of Materials
Editors
  • Hirohiko Adachi
  • Takeshi Mukoyama
  • Jun Kawai
Series Title
Springer Series in Materials Science
Series Volume
84
Copyright
2006
Publisher
Springer-Verlag Berlin Heidelberg
Copyright Holder
Springer-Verlag Berlin Heidelberg
eBook ISBN
978-3-540-31297-0
DOI
10.1007/3-540-31297-8
Hardcover ISBN
978-3-540-24508-7
Softcover ISBN
978-3-642-06384-8
Series ISSN
0933-033X
Edition Number
1
Number of Pages
XVI, 240
Number of Illustrations
130 b/w illustrations
Topics