Planewaves, Pseudopotentials and the LAPW Method [electronic resource] / by David J. Singh, Lars Nordström.

By:

Singh, David J [author.]

Contributor(s):

Publisher: Boston, MA : Springer US, 2006Edition: Second EditionDescription: XIII, 134 p. online resourceContent type:

text

Media type:

computer

Carrier type:

online resource

ISBN:

9780387296845

Subject(s):

Genre/Form:

Electronic books.

Additional physical formats: Printed edition:: No titleDDC classification:

620.11 23

LOC classification:

TA404.6

Online resources:

Click here to access online

Contents:

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

In: Springer eBooksSummary: Planewaves, Pseudopotentials, and the LAPW Method, 2nd 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.

Item type:

eBooks

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

Planewaves, Pseudopotentials, and the LAPW Method, 2nd 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.