Group Theory Applied to Chemistry (Theoretical Chemistry and Computational Modelling)

Book Details

• Author: Arnout Jozef Ceulemans

• Publisher: Springer

• Edition: 2nd Edition

• Binding: Hardcover

• Format: Import

• Pages: 348

• Release Date: 05-04-2024

• ISBN: 9789402422443

• Dimensions: 9.5 x 6.5 x 0.9 inches

• Languages: English

About the Book

The second edition of this textbook provides a deeper dive into important group-theoretical concepts in quantum chemistry. Building upon the first edition, Group Theory in Molecular Science expands on several key topics to offer a more comprehensive understanding of how group theory is applied to chemical systems. This book is tailored for advanced undergraduate and graduate students who are looking to apply group theory in their own research, as well as for more experienced researchers interested in the mathematical aspects of the subject.

Key Features:

• Expanded Coverage: The second edition includes a more elaborate explanation of several advanced group-theoretical concepts, including:

  • Bra-Ket Conjugation Relation: A detailed examination of this important concept in quantum chemistry.

  • Point Groups and Isometries: A deeper understanding of the relationship between point groups and the symmetry operations they represent.

  • Subduction Tables: Practical insights into using subduction tables for breaking down complex group representations.

  • Eigenvalues of Cayley Graphs: Understanding the connection between eigenvalues and group theory in the context of molecular systems.

  • Symmetry of Slater Determinants: A new approach to applying symmetry in multi-electron systems, essential for quantum chemistry calculations.

• New Chapter on Line and Plane Groups: A new chapter introduces the use of line and plane groups in the analysis of nanostructured low-dimensional molecular systems, reflecting the latest advances in the field.

• Practical Application: Several extra study problems are inserted to illustrate how group theory can be put to practical use in molecular science. These exercises enable students to directly apply what they've learned to real-world chemical problems.

• Designed for Students and Researchers: The book is aimed at both advanced students in quantum chemistry and experienced researchers. Students can use it to master group theory and apply it in their own studies, while researchers will find valuable insights into the mathematical aspects of their work.

Why This Book is Important:

This textbook offers a clear, structured introduction to group theory, with practical applications that will benefit students and researchers alike. It introduces group-theoretical concepts in a way that is accessible to those who are not yet familiar with the subject, while also offering advanced material that will be valuable for more experienced learners and researchers working on complex quantum chemistry problems.

Who Should Read This Book:

• Advanced Undergraduate and Graduate Students: Those studying quantum chemistry, molecular chemistry, and related fields will benefit from the book's clear explanations and practical examples.

• Researchers in Quantum Chemistry: More experienced researchers in molecular science will find this book useful for exploring the mathematical and theoretical aspects of group theory as applied to their own research.

• Anyone Interested in Group Theory and Chemistry: Those who want to understand how group theory is applied to chemical systems and molecular science will find this book an invaluable resource.

Group Theory in Molecular Science, Second Edition is an indispensable tool for anyone wishing to understand and apply group theory in the study of chemistry and molecular systems.