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Electronic structure methods for complex materials: the orthogonalized linear combination of atomic orbitals

This title details the application of the OLCAO method for calculating the properties of solids from fundamental principles to a wide array of material systems. The method specialises in large and complex models and is able to compute a variety of useful properties including electronic, optical, and...

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Detalles Bibliográficos
Autores principales: Ching, Wai-Yim, Rulis, Paul Michael
Lenguaje:eng
Publicado: Oxford University Press 2012
Materias:
Acceso en línea:https://dx.doi.org/10.1093/acprof:oso/9780199575800.001.0001
http://cds.cern.ch/record/1540143