• Formato de libro: PDF, Epub, DOCx, TXT
  • Numero de paginas: 466 paginas pages
  • Tamaño del archivo: 17MB
  • Clasificacion:

Sinopsis de MATERIALS MODELLING USING DENSITY FUNCTIONAL THEORY: PROPERTIES AND PREDICTIONS:

This book is an introduction to the quantum theory of materials and first-principles computational materials modell ing. 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, optical, electrical, and magnetic properties of materials are described within a single unified conceptual framew ork, rooted in the Schrodinger equation of quantum mechanics, and powered by density functional theory. This book is intended for senior undergraduate and first-year graduate students in materials science, physics, chemistry, and engineering who are approaching for the first time the study of mater ials at the atomic scale. The inspiring principle of the book is borrowed from one of the slogans of the Perl programming language, 'Easy things should be easy and hard things should be possible'. Following this philosophy, emphasis is placed on the unifying concepts, and on the frequent use of sim ple heuristic arguments to build on one's own intuition. The presentation style is somewhat cross disciplinary- an attempt is made to seamlessly combine materials science, quantum mechanics, electrodynamics, and numerical analysis, without using a compartmentalized approach. Each chapter is accompa nied by an extensive set of references to the original scientific literature and by exercises where all key steps and final results are indicated in order to facilitate learning. This book can be used either as a complement to the quantum theory of materials, or as a primer in modern techniques of computational materials modelling using density functional theory.

MATERIALS MODELLING USING DENSITY FUNCTIONAL THEORY: PROPERTIES AND PREDICTIONS

Comentarios

Kulameena

he estado esperar tanto tiempo de publicación, es mi libro favorito

Jadwiga

Excelente aporte!! Te felicito y agradezco por todo el trabajo que te tomas para compartir éste y otros materiales. Un abrazo.

Dorries

honestamente puedo decir que fue una de las mejores cosas yo he leído nunca

Lee

que no tengo suficientes cosas buenas que decir acerca de este libro. Fue fantastico!

Bealis

Totalmente caidos los links

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