Articoli correlati a Electronic Structure Methods for Complex Materials:...

Electronic Structure Methods for Complex Materials: The orthogonalized linear combination of atomic orbitals - Rilegato

Ching, Wai-Yim; Rulis, Paul

 
9780199575800: Electronic Structure Methods for Complex Materials: The orthogonalized linear combination of atomic orbitals
Rilegato
ISBN 10: 0199575800 ISBN 13: 9780199575800
Casa editrice: OUP Oxford, 2012

Sinossi

Density functional theory (DFT) has blossomed in the past few decades into a powerful tool that is used by experimentalists and theoreticians alike. This book highlights the extensive contributions that the DFT-based OLCAO method has made to progress in this field, and it demonstrates its competitiveness for performing ab initio calculations on large and complex models of practical systems. A brief historical account and introduction to the elements of the theory set the stage for discussions on semiconductors, insulators, crystalline metals and alloys, complex crystals, non-crystalline solids and liquids, microstructure containing systems and those containing impurities, defects, and surfaces, biomolecular systems, and the technique of ab initio core level spectroscopy calculation.

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Informazioni sull'autore

Wai-Yim Ching is Curators' Professor of Physics at the University of Missouri, Kansas City.


Paul Rulis is an Assistant Professor of Physics at the University of Missouri, Kansas City.

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Editore
OUP Oxford
Data di pubblicazione
2012
Lingua
Inglese
ISBN 10 
0199575800
ISBN 13 
9780199575800
Rilegatura
Copertina rigida
Numero di pagine
326
Contatto del produttore
non disponibile
Persona responsabile
gpsr@libri.de
gpsr@libri.de

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