Mathematical Physics

Feliciano Giustino's Materials Modelling using Density Functional Theory: PDF

By Feliciano Giustino

ISBN-10: 0199662436

ISBN-13: 9780199662432

ISBN-10: 0199662444

ISBN-13: 9780199662449

This publication is an advent to the quantum conception of fabrics and first-principles computational fabrics modelling. It explains how you can use density useful thought as a pragmatic software for calculating the houses of fabrics with no utilizing any empirical parameters. The structural, mechanical, optical, electric, and magnetic houses of fabrics are defined inside of a unmarried unified conceptual framework, rooted within the Schrödinger equation of quantum
mechanics, and powered via density practical theory.

This e-book is meant for senior undergraduate and first-year graduate scholars in fabrics technological know-how, physics, chemistry, and engineering who're drawing close for the 1st time the examine of fabrics on the atomic scale. The inspiring precept of the ebook is borrowed from one of many slogans of the Perl programming language, 'Easy issues might be effortless and difficult issues may be possible'. Following this philosophy, emphasis is put on the unifying techniques, and at the widespread use of simple
heuristic arguments to construct on one's personal instinct. The presentation variety is a little bit go disciplinary; an try out is made to seamlessly mix fabrics technological know-how, quantum mechanics, electrodynamics, and numerical research, with out utilizing a compartmentalized process. each one bankruptcy is followed by
an huge set of references to the unique medical literature and through routines the place all key steps and outcome are indicated which will facilitate studying. This e-book can be utilized both as a supplement to the quantum concept of fabrics, or as a primer in smooth concepts of computational fabrics modelling utilizing density practical theory.

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Materials Modelling using Density Functional Theory: Properties and Predictions by Feliciano Giustino


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