Feliciano Giustino
Materials Modelling using Density Functional Theory: Properties and Predictions
- ISBN 13:
- 9780199662449
- author:
- Feliciano Giustino
- format:
- Paperback
- publisher:
- Oxford University Press
- language:
- English
- Publication Year:
- 2014
- Pages:
- 304
- Dimensions:
- 24.4 x 1.5 x 17 cm
- Genre:
- Science & Nature, Engineering & Technology, Civil Engineering
- Condition:
- New
- Availability:
- Item usually sent within 4 working days
Description
This introduction to quantum theory and computational materials modelling uses density functional theory as a practical tool for calculating material properties. It provides a unified conceptual framework rooted in the Schrodinger equation, covering structural, mechanical, optical, electrical, and magnetic properties.
Designed for students approaching materials science at the atomic scale, this book combines materials science, quantum mechanics, electrodynamics, and numerical analysis without compartmentalization. Exercises are included to facilitate learning, with references to original scientific literature.
Use this book as a complement or primer in modern techniques of computational materials modelling using density functional theory, or as a standalone resource for those new to the subject.
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