Computational Quantum Mechanics for Materials Engineers

The EMTO Method and Applications

Specificaties
Paperback, 237 blz. | Engels
Springer London | 0e druk, 2010
ISBN13: 9781849966856
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Springer London 0e druk, 2010 9781849966856
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Samenvatting

This is the only book to cover the most recent developments in applied quantum theory and their use in modeling materials properties. It describes new approaches to modeling disordered alloys and focuses on those approaches that combine the most efficient quantum-level theories of random alloys with the most sophisticated numerical techniques. In doing so, it establishes a theoretical insight into the electronic structure of complex materials such as stainless steels, Hume-Rothery alloys and silicates.

Specificaties

ISBN13:9781849966856
Taal:Engels
Bindwijze:paperback
Aantal pagina's:237
Uitgever:Springer London
Druk:0

Inhoudsopgave

Basics of Electronic Structure Calculations Exact Muffin-Tin Orbitals Method Slope Matrix Full Charge Density Technique The EMTO-CPA Method Ground State Properties Ordered Solids Binary Alloys Iron-chromium-nickel Alloys

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        Computational Quantum Mechanics for Materials Engineers