Computer Algebra and Materials Physics

A Practical Guidebook to Group Theoretical Computations in Materials Science

AvAkihito Kikuchi

Häftad, Engelska, 2018

Del 272 i serien Springer Series in Materials Science

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Beskrivning

This book is intended as an introductory lecture in material physics, in which the modern computational group theory and the electronic structure calculation are in collaboration. The first part explains how to use computer algebra for applications in solid-state simulation, based on the GAP computer algebra package.

Produktinformation

Utgivningsdatum:2018-12-22
Mått:155 x 235 x 10 mm
Vikt:271 g
Format:Häftad
Språk:Engelska
Serie:Springer Series in Materials Science
Antal sidor:159
Förlag:Springer Nature Switzerland AG
ISBN:9783030068158

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Mer om författaren

Akihito Kikuchi received his degrees of B. Sc, M.S. and Ph. D in physics in 1991, 1993, and 1996 from the University of Tokyo. Subsequently he worked as postdoctoral fellow and research associate at the institute for solid state physics in University of Tokyo. Today he works with a private company in Japan as a researcher. His research interests cover condensed matter physics, quantitative electronic structure theory, pseudopotential theory, molecular simulation, elementary excitation in solids, computational chemistry, and the application of symbolic computations (by means of group theory, algebraic geometry, and other modern theory of mathematics) in theororetical material science.

Innehållsförteckning

Dedication.- Preface.- Introduction.- Computation of Group Theoretical Properties Using "GAP".- Some Preliminaries.- Application 1: Identification of Wave Functions to Irreducible Representations.- Application 2: A Systematic Way of the Material Designing.- Technical Details.- Symmetry in C60.- Analysis of Vibrational Mode in C60.- Final Remarks.- Appendices A-J.