Planewaves, Pseudopotentials, and the LAPW Method

Name: Planewaves, Pseudopotentials, and the LAPW Method
Brand: Springer, Berlin
SKU: 9781441939548
Price: 43529 HUF
Availability: InStock

Szerző: David J. Singh, Lars Nordstrom

Nyelv:

Kötés: Puha kötésű

Kiadó: Springer, Berlin

Elérhetőség: Beszállítói készleten alacsony példányszámban

Küldés 11-15 napon belül

43 529 Ft

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

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Szerző

David J. Singh, Lars Nordstrom

Nyelv

Angol

Kötés

Könyv - Puha kötésű

Kiadva

2010

oldal

134

EAN

9781441939548

ISBN

1441939547

Enbook ID

01422495

Kiadó

Springer, Berlin

Súly

235

Méretek

158 x 226 x 8

Teljes leírás

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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