Hartree-Fock-Slater Method for Materials Science : The DV-X Alpha Method for Design and Characterization of Materials. This item is unavailable.
Language: English
Published by Springer, Berlin, Springer Berlin Heidelberg, Springer, 2005
Series: Book 7 of 233 - Springer Series in Materials Science
- Hardcover
- New
Seller: AHA-BUCH GmbH, Einbeck, GermanyAHA-BUCH GmbH
AbeBooks seller since August 14, 2006
Condition: New
£ 194.72
Item description from seller
Neuware - 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 spectralline 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.
Seller Inventory # 9783540245087
- Title
- Hartree-Fock-Slater Method for Materials Science : The DV-X Alpha Method for Design and Characterization of Materials
- Author
- Hirohiko Adachi
- Publisher
- Springer, Berlin, Springer Berlin Heidelberg, Springer
- Publication year
- 2005
- Condition
- Neu
- Binding
- Buch
- Language
- English
- ISBN 10
- 3540245081
- ISBN 13
- 9783540245087
- Item weight
- 548 grams
- Dimensions
- 236x165x22 mm
- Series
- Book 7 of 233: Springer Series in Materials Science
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 spectralline 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.
"Synopsis" may belong to another edition of this title.
From the Back Cover
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.
"About the title" may belong to another edition of this title.