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. Computer algebra enables us to easily obtain various group theoretical properties, such as the representations, character tables, and subgroups. Furthermore it offers a new perspective on material design, which could be executed in a mathematically rigorous and systematic way.
The second part then analyzes the relation between the structural symmetry and the electronic structure in C60 (as an example of a system without periodicity). The principal object of the study was to illustrate the hierarchical change in the quantum-physical properties of the molecule, which correlates to the reduction in the symmetry (as it descends down in the ladder of subgroups).
Thebook also presents the computation of the vibrational modes of the C60 by means of the computer algebra. In order to serve the common interests of researchers, the details of the computations (the required initial data and the small programs developed for the purpose) are explained in as much detail as possible.
| ISBN: | 9783319942254 |
| Publication date: | 19th July 2018 |
| Author: | Akihito Kikuchi |
| Publisher: | Springer an imprint of Springer International Publishing |
| Format: | Hardback |
| Pagination: | 159 pages |
| Series: | Springer Series in Materials Science |
| Genres: |
Testing of materials Condensed matter physics (liquid state and solid state physics) Quantum and theoretical chemistry Materials science Atomic and molecular physics Mathematical 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 computer algebra package. Computer algebra enables us to easily obtain various group theoretical properties, such as the representations, character tables, and subgroups.
Computer Algebra and Materials Physics features in the following genres: Testing of materials, Condensed matter physics (liquid state and solid state physics), Quantum and theoretical chemistry, Materials science, Atomic and molecular physics, Mathematical physics
Hardback. Not Available.
Computer Algebra and Materials Physics was written by Akihito Kikuchi and published by Springer an imprint of Springer International Publishing
Computer Algebra and Materials Physics has 159 pages
Yes it is part of Springer Series in Materials Science series