Planewaves, Pseudopotentials, and the LAPW Method [Hardcover]

David J. Singh (Author), Lars Nordstrom (Author)

Book Description

ISBN-10: 0387287809 | ISBN-13: 978-0387287805 | Publication Date: November 29, 2005 | Edition: 2nd

With its extreme accuracy and reasonable computational efficiency, the linearized augmented plane wave (LAPW) method has emerged as the standard by which density functional calculations for transition metal and rare-earth containing materials are judged. The second edition of Planewaves, Pseudopotentials and the LAPW Method presents an updated,  thorough and self-contained exposition of the first principles methods for calculating properties of solids, in particular the "LAPW" method and will make connections between this method and planewave pseudopotential approaches. Theory is discussed, but the emphasis is on how practical implementation proceeds. In addition, the author suggests future directions for adapting the LAPW method to simulations of complex materials requiring large unit cells. He does this by elucidating the connections between the LAPW method and planewave pseudopotential approaches and by showing how Car-Parrinello type algorithms can be adapted to the LAPW method. The new edition contains  new sections on developments over the last 10 years, including for example the LDA+U method, non-collinear magnetism and the APW+LO method.

Editorial Reviews

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.

Product Details

• Hardcover: 147 pages
• Publisher: Springer; 2nd edition (November 29, 2005)
• Language: English
• ISBN-10: 0387287809
• ISBN-13: 978-0387287805
• Product Dimensions: 9.3 x 6 x 0.6 inches
• Shipping Weight: 13.4 ounces (View shipping rates and policies)
• Amazon Best Sellers Rank: #3,175,923 in Books (See Top 100 in Books)

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