Hartree-Fock-Slater Method for Materials Science : The DV-X Alpha Method for Design and Characterization of Materials. Cet article n’est pas disponible.
Langue : anglais
Edité par Springer, Berlin, Springer Berlin Heidelberg, Springer, 2005
Série : Livre 7 sur 233 - Springer Series in Materials Science
- Livre relié
- Neuf
Vendeur : AHA-BUCH GmbH, Einbeck, AllemagneAHA-BUCH GmbH
Vendeur AbeBooks depuis 14 août 2006
Etat: Neuf
EUR 219,80
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.
N° de réf. du vendeur 9783540245087
- Titre
- Hartree-Fock-Slater Method for Materials Science : The DV-X Alpha Method for Design and Characterization of Materials
- Auteur
- Hirohiko Adachi
- Éditeur
- Springer, Berlin, Springer Berlin Heidelberg, Springer
- Année de publication
- 2005
- État de l'article
- Neu
- Reliure
- Buch
- Langue
- anglais
- ISBN à 10 chiffres
- 3540245081
- ISBN à 13 chiffres
- 9783540245087
- Poids de l'article
- 548 grammes
- Dimensions
- 236x165x22 mm
- Série
- Livre 7 sur 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.
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