Téléchargez le livre : Hartree-Fock-Slater Method for Materials Science

Hartree-Fock-Slater Method for Materials Science

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

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Éditeur :

Springer


Collection :

Springer Series in Materials Science

Paru le : 2006-03-08

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Description
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.
Pages
240 pages
Collection
Springer Series in Materials Science
Parution
2006-03-08
Marque
Springer
EAN papier
9783540245087
EAN PDF
9783540312970
Informations sur l'ebook
Nombre pages copiables
2
Nombre pages imprimables
24
Taille du fichier
6246 Ko
Prix
147,69 €

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