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Hartree-Fock-Slater Method for Materials Science: The DV-X Alpha Method for Design and Characterization of Materials

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ISBN 10: 3642063845 / ISBN 13: 9783642063848
Published by Springer
New Condition New Paperback
From BuySomeBooks (Las Vegas, NV, U.S.A.) Quantity Available: 20
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Paperback. 240 pages. Dimensions: 9.0in. x 6.0in. x 0.6in.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. This item ships from multiple locations. Your book may arrive from Roseburg,OR, La Vergne,TN. Bookseller Inventory # 9783642063848

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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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Bibliographic Details

Title: Hartree-Fock-Slater Method for Materials ...

Publisher: Springer

Binding: Paperback

Book Condition: New

Book Type: Paperback

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