The Resource Computer Algebra and Materials Physics : A Practical Guidebook to Group Theoretical Computations in Materials Science, by Akihito Kikuchi, (electronic resource)

Computer Algebra and Materials Physics : A Practical Guidebook to Group Theoretical Computations in Materials Science, by Akihito Kikuchi, (electronic resource)

Label
Computer Algebra and Materials Physics : A Practical Guidebook to Group Theoretical Computations in Materials Science
Title
Computer Algebra and Materials Physics
Title remainder
A Practical Guidebook to Group Theoretical Computations in Materials Science
Statement of responsibility
by Akihito Kikuchi
Creator
Contributor
Author
Provider
Subject
Language
eng
Summary
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). The book 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.
Member of
http://library.link/vocab/creatorName
Kikuchi, Akihito
Image bit depth
0
LC call number
TA404.6
Literary form
non fiction
http://library.link/vocab/relatedWorkOrContributorName
SpringerLink
Series statement
Springer Series in Materials Science,
Series volume
272
http://library.link/vocab/subjectName
  • Materials science
  • Chemistry, Physical and theoretical
  • Physics
  • Atoms
  • Solid state physics
  • Materials
  • Materials Science
  • 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
Label
Computer Algebra and Materials Physics : A Practical Guidebook to Group Theoretical Computations in Materials Science, by Akihito Kikuchi, (electronic resource)
Instantiates
Publication
Antecedent source
mixed
Carrier category
online resource
Carrier category code
cr
Carrier MARC source
rdacarrier
Color
not applicable
Content category
text
Content type code
txt
Content type MARC source
rdacontent
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
Dimensions
unknown
Extent
XI, 159 p. 7 illus., 5 illus. in color.
File format
multiple file formats
Form of item
electronic
Isbn
9783319942261
Level of compression
uncompressed
Media category
computer
Media MARC source
rdamedia
Media type code
c
Other control number
10.1007/978-3-319-94226-1
Other physical details
online resource.
Quality assurance targets
absent
Reformatting quality
access
Specific material designation
remote
System control number
(DE-He213)978-3-319-94226-1
Label
Computer Algebra and Materials Physics : A Practical Guidebook to Group Theoretical Computations in Materials Science, by Akihito Kikuchi, (electronic resource)
Publication
Antecedent source
mixed
Carrier category
online resource
Carrier category code
cr
Carrier MARC source
rdacarrier
Color
not applicable
Content category
text
Content type code
txt
Content type MARC source
rdacontent
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
Dimensions
unknown
Extent
XI, 159 p. 7 illus., 5 illus. in color.
File format
multiple file formats
Form of item
electronic
Isbn
9783319942261
Level of compression
uncompressed
Media category
computer
Media MARC source
rdamedia
Media type code
c
Other control number
10.1007/978-3-319-94226-1
Other physical details
online resource.
Quality assurance targets
absent
Reformatting quality
access
Specific material designation
remote
System control number
(DE-He213)978-3-319-94226-1

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