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Computer Algebra and Materials Physics: A Practical Guidebook to Group Theoretical Computations in Materials Science
Paperback
Series: Springer Materials Science, Book 272
Technology & EngineeringChemistryPhysics
ISBN13: 9783030068158
Publisher: Springer Nature
Published: Dec 22 2018
Pages: 159
Weight: 0.55
Height: 0.37 Width: 6.14 Depth: 9.21
Language: English
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.
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.
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