Items related to Planewaves, Pseudopotentials and the LAPW Method

Planewaves, Pseudopotentials and the LAPW Method - Hardcover

Singh, David J.

 
9780792394129: Planewaves, Pseudopotentials and the LAPW Method

Synopsis

With its extreme accuracy and reasonable computational efficiency, the linearized augmented planewave (LAPW) method has emerged as the standard by which density functional calculations for transition metal and rare-earth containing materials are judged. This volume presents a thorough and self-contained exposition of the LAPW method with a view toward making the technique more accessible to researchers and students who have some familiarity with local density approximation calculations. Theory is discussed, but the emphasis is on how practical implementation proceeds. Annotation copyright Book News, Inc. Portland, Or.

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From the Back Cover

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.

Synopsis

With its extreme accuracy and reasonable computational efficiency, the linearized augmented planewave (LAPW) method has emerged as the standard by which density functional calculations for transition metal and rare-earth containing materials are judged. This volume presents a thorough and self-contained exposition of the LAPW method with a view tow

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