Computational Quantum Mechanics for Materials Engineers The EMTO Method and Applications /
Traditionally, new materials have been developed by empirically correlating their chemical composition, and the manufacturing processes used to form them, with their properties. Until recently, metallurgists have not used quantum theory for practical purposes. However, the development of modern dens...
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| Natura: | Elettronico eBook |
| Lingua: | English |
| Pubblicazione: |
London :
Springer London : Imprint: Springer,
2007.
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| Edizione: | 1st ed. 2007. |
| Serie: | Engineering Materials and Processes,
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| Soggetti: | |
| Accesso online: | https://doi.org/10.1007/978-1-84628-951-4 |
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Sommario:
- The Method
- Basics of Electronic Structure Calculations
- Exact Muffin-tin Orbitals Method
- Slope Matrix
- Full Charge Density Technique
- The EMTO-CPA Method
- Applications
- Ground-state Properties
- Ordered Solids
- Binary Alloys
- Iron—chromium—nickel Alloys.