Materials modelling using density functional theory : properties and predictions /

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This book is an introduction to the quantum theory of materials and first-principles computational materials modelling. It explains how to use density functional theory as a practical tool for calculating the properties of materials without using any empirical parameters. The structural, mechanical,...

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Bibliographic Details
Call Number:Libro Electrónico
Main Author: Giustino, Feliciano
Format: Electronic eBook
Language:Inglés
Published: Oxford : Oxford University Press, 2014.
Subjects:
Materials.
Density functionals.
Matériaux.
Fonctionnelles densité.
TECHNOLOGY & ENGINEERING > Engineering (General)
TECHNOLOGY & ENGINEERING > Reference.
Density functionals
Materials
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