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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| מחבר תאגידי: | |
| פורמט: | אלקטרוני ספר אלקטרוני | 
| שפה: | English | 
| יצא לאור: | London :
        Springer London : Imprint: Springer,
    
      2007. | 
| מהדורה: | 1st ed. 2007. | 
| סדרה: | Engineering Materials and Processes, | 
| נושאים: | |
| גישה מקוונת: | https://doi.org/10.1007/978-1-84628-951-4 | 
| תגים: | הוספת תג 
      אין תגיות, היה/י הראשונ/ה לתייג את הרשומה!
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                תוכן הענינים: 
            
                  - 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.



