Computer Algebra and Materials Physics A Practical Guidebook to Group Theoretical Computations in Materials Science
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...
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| Format: | eBook |
| Language: | English |
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Cham
Springer International Publishing
2018, 2018
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| Edition: | 1st ed. 2018 |
| Series: | Springer Series in Materials Science
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| Subjects: | |
| Online Access: | |
| Collection: | Springer eBooks 2005- - Collection details see MPG.ReNa |
Table of Contents:
- 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.