David J. Singh, Lars Nordstrom

Planewaves, Pseudopotentials, and the LAPW Method (eBook, PDF)

• Format: PDF

Produktbeschreibung

Planewaves, Pseudopotentials, and the LAPW Method, 2^nd Edition, provides a comprehensive description of the LAPW (Linearized Augmented Plane Wave) method and its relationships with other first principles approaches for materials. The book is essential reading for practitioners of the method and for developers of electronic structure methods.

This book is an updated and revised version of the previous volume. New material has been added on topics including the APW+LO method, LDA+U method, non-collinear magnetism and spin-orbit treatments.

David J. Singh, is presently a distinguished research staff member and group leader for theory in the Condensed Matter Sciences Division of Oak Ridge National Laboratory. Lars Nordström is an associate professor in condensed matter theory in the Physics Department of Uppsala University, Sweden.

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Produktdetails

• Verlag: Springer US
• Seitenzahl: 134
• Erscheinungstermin: 12. Oktober 2006
• Englisch
• ISBN-13: 9780387296845
• Artikelnr.: 37287268

Autorenporträt

David J. Singh, Oak Ridge National Laboratory, TN, USA / Lars Nordstrom, Uppsala University, Sweden

Inhaltsangabe

Preface.
- Introduction.
- Overview of Density Functional Theory and Methods.
- Planewave Pseudopotential Methods.
- Introduction to the LAPW Method.
- Nittie-Gritties.
- Car-Parrinello, the LAPW Method and Large Systems.
- References.
- Index.

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Density Functional Theory and Methods.- Planewave Pseudopotential Methods.- to the LAPW Method.- Nitty-Gritties.- Car-Parrinello and the LAPW Method.