Overview
- Basic book on Hartree-Fock-Slater Method
- Most comprehensive presentation of its applications in Materials Science
Part of the book series: Springer Series in Materials Science (SSMATERIALS, volume 84)
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Table of contents (10 chapters)
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Fundamental
Keywords
About this book
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.
Editors and Affiliations
Bibliographic Information
Book Title: Hartree-Fock-Slater Method for Materials Science
Book Subtitle: The DV-X Alpha Method for Design and Characterization of Materials
Editors: Hirohiko Adachi, Takeshi Mukoyama, Jun Kawai
Series Title: Springer Series in Materials Science
DOI: https://doi.org/10.1007/3-540-31297-8
Publisher: Springer Berlin, Heidelberg
eBook Packages: Physics and Astronomy, Physics and Astronomy (R0)
Copyright Information: Springer-Verlag Berlin Heidelberg 2006
Hardcover ISBN: 978-3-540-24508-7Published: 08 December 2005
Softcover ISBN: 978-3-642-06384-8Published: 12 February 2010
eBook ISBN: 978-3-540-31297-0Published: 08 March 2006
Series ISSN: 0933-033X
Series E-ISSN: 2196-2812
Edition Number: 1
Number of Pages: XVI, 240
Number of Illustrations: 130 b/w illustrations
Topics: Condensed Matter Physics, Materials Science, general, Engineering, general