Vetenskap & teknik
Hartree-Fock-Slater Method for Materials Science
Hirohiko Adachi • Takeshi Mukoyama • Jun Kawai
Inbunden
2229:-
Uppskattad leveranstid 7-12 arbetsdagar
Fri frakt för medlemmar vid köp för minst 249:-
Andra format:
- Pocket/Paperback 2229:-
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.
- Illustratör: 132 illustrations
- Format: Inbunden
- ISBN: 9783540245087
- Språk: Engelska
- Antal sidor: 240
- Utgivningsdatum: 2005-12-01
- Förlag: Springer-Verlag Berlin and Heidelberg GmbH & Co. K