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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Dades bibliogràfiques
Autor principal: Vitos, Levente
Format: Livre numérique
Idioma:Anglais
Publicat: London : Springer London [20..].
Cham : Springer Nature
Edició:1st ed. 2007.
Col·lecció:Engineering Materials and Processes
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Accès Université d'Orléans
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Nota: Archives Springer e-books (Licence nationale)
Archives Springer e-books (Licence nationale)
Autres localisations: Voir dans le Sudoc
Edition sous un autre format:• Computational Quantum Mechanics for Materials Engineers, Texte imprimé, 9781846289507
• Computational Quantum Mechanics for Materials Engineers, Texte imprimé, 9781849966856
• Computational Quantum Mechanics for Materials Engineers, Texte imprimé, 9781848006546
• Computational Quantum Mechanics for Materials Engineers, Texte imprimé, 9781846289507
• Computational Quantum Mechanics for Materials Engineers, Texte imprimé, 9781849966856
• Computational Quantum Mechanics for Materials Engineers, Texte imprimé, 9781848006546
• Computational Quantum Mechanics for Materials Engineers, Texte imprimé, 9781846289507
Taula de continguts:
  • 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