Planewaves, Pseudopotentials, and the LAPW Method

Name: Planewaves, Pseudopotentials, and the LAPW Method
Brand: Springer, Berlin
SKU: 9781441939548
Price: 109.68 EUR
Availability: InStock

Autor: David J. Singh, Lars Nordstrom

Jazyk:

Väzba: Brožovaná

Vydavateľ: Springer, Berlin

Dostupnosť: Skladom u dodávateľa

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109.68 €

With its extreme accuracy and reasonable computational efficiency, the linearized augmented plane wa...

Informácie o knihe

Autor

David J. Singh, Lars Nordstrom

Jazyk

Angličtina

Väzba

Kniha - Brožovaná

Vydalo

2010

Stránok

134

EAN

9781441939548

ISBN

1441939547

Enbook ID

01422495

Vydavateľ

Springer, Berlin

Hmotnosť

235

Rozmery

158 x 226 x 8

Kompletný popis

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.

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Planewaves, Pseudopotentials, and the LAPW Method

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