Computer Algebra and Materials Physics A Practical Guidebook to Group Theoretical Computations in Materials Science /

• Κύριος συγγραφέας: Kikuchi, Akihito (Συγγραφέας, http://id.loc.gov/vocabulary/relators/aut)
• Συγγραφή απο Οργανισμό/Αρχή: SpringerLink (Online service)
• Μορφή: Ηλεκτρονική πηγή Ηλ. βιβλίο
• Γλώσσα: English
• Έκδοση: Cham : Springer International Publishing : Imprint: Springer, 2018.
• Έκδοση: 1st ed. 2018.
• Σειρά: Springer Series in Materials Science, 272
• Θέματα: Materials science.; Mathematical physics.; Engineering-Materials.; Chemistry, Physical and theoretical.; Atoms.; Physics.; Solid state physics.; Characterization and Evaluation of Materials.; Theoretical, Mathematical and Computational Physics.; Materials Engineering.; Theoretical and Computational Chemistry.; Atomic, Molecular, Optical and Plasma Physics.; Solid State Physics.

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 compute...

Πίνακας περιεχομένων:

• 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.