0
Your cart

Your cart is empty

Books > Professional & Technical > Mechanical engineering & materials > Materials science > Testing of materials > Non-destructive testing

Not currently available

Advanced Calculations for Defects in Materials - Electronic Structure Methods (Hardcover) Loot Price: R3,177
Discovery Miles 31 770
You Save: R803 (20%)
Advanced Calculations for Defects in Materials - Electronic Structure Methods (Hardcover): Audrius Alkauskas, Peter Deak, Joerg...

Advanced Calculations for Defects in Materials - Electronic Structure Methods (Hardcover)

Audrius Alkauskas, Peter Deak, Joerg Neugebauer, Alfredo Pasquarello, Chris G. Van de Walle

 (sign in to rate)
List price R3,980 Loot Price R3,177 Discovery Miles 31 770 | Repayment Terms: R298 pm x 12* You Save R803 (20%)

Bookmark and Share

Supplier out of stock. If you add this item to your wish list we will let you know when it becomes available.

This book investigates the possible ways of improvement by applying more sophisticated electronic structure methods as well as corrections and alternatives to the supercell model. In particular, the merits of hybrid and screened functionals, as well as of the +U methods are assessed in comparison to various perturbative and Quantum Monte Carlo many body theories. The inclusion of excitonic effects is also discussed by way of solving the Bethe-Salpeter equation or by using time-dependent DFT, based on GW or hybrid functional calculations. Particular attention is paid to overcome the side effects connected to finite size modeling.
The editors are well known authorities in this field, and very knowledgeable of past developments as well as current advances. In turn, they have selected respected scientists as chapter authors to provide an expert view of the latest advances.
The result is a clear overview of the connections and boundaries between these methods, as well as the broad criteria determining the choice between them for a given problem. Readers will find various correction schemes for the supercell model, a description of alternatives by applying embedding techniques, as well as algorithmic improvements allowing the treatment of an ever larger number of atoms at a high level of sophistication.

General

Imprint: Wiley-VCH Verlag GmbH
Country of origin: Germany
Release date: April 2011
First published: June 2011
Editors: Audrius Alkauskas • Peter Deak • Joerg Neugebauer • Alfredo Pasquarello • Chris G. Van de Walle
Dimensions: 247 x 178 x 23mm (L x W x T)
Format: Hardcover
Pages: 402
ISBN-13: 978-3-527-41024-8
Categories: Books > Professional & Technical > Mechanical engineering & materials > Materials science > Testing of materials > Non-destructive testing
Promotions
LSN: 3-527-41024-4
Barcode: 9783527410248

Is the information for this product incomplete, wrong or inappropriate? Let us know about it.

Does this product have an incorrect or missing image? Send us a new image.

Is this product missing categories? Add more categories.

Review This Product

No reviews yet - be the first to create one!

Partners