Hartree-Fock-Slater Method for Materials Science: The DV-X Alpha Method for Design and Characterization of Materials (Springer Series in Materials Science, 84, Band 84) - Hardcover

Buch 7 von 233: Springer Series in Materials Science
 
9783540245087: Hartree-Fock-Slater Method for Materials Science: The DV-X Alpha Method for Design and Characterization of Materials (Springer Series in Materials Science, 84, Band 84)
Hardcover
ISBN 10: 3540245081 ISBN 13: 9783540245087
Verlag: Springer, 2005

Inhaltsangabe

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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Von der hinteren Coverseite

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.

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Verlag
Springer
Erscheinungsdatum
2005
Sprache
Englisch
ISBN 10 
3540245081
ISBN 13 
9783540245087
Einband
Gebundene Ausgabe
Anzahl der Seiten
256
Herausgeber
Adachi Hirohiko, Mukoyama Takeshi, Kawai Jun
Kontakt zum Hersteller
Dt. Universitätsverlag
buchhandel-buch@springer.com

Abraham-Lincoln-Str. 46
Wiesbaden
65198
Deutschland

Weitere beliebte Ausgaben desselben Titels

9783642063848: Hartree-Fock-Slater Method for Materials Science: The DV-X Alpha Method for Design and Characterization of Materials (Springer Series in Materials Science, Band 84)

Vorgestellte Ausgabe

ISBN 10:  3642063845 ISBN 13:  9783642063848
Verlag: Springer, 2010
Softcover