Molecular Symmetry and Computational Quantum Chemistry

A comprehensive review of molecular symmetry topics, presenting their practical applications in the context of computational quantum chemistry

This book explores the various symmetries that appear in calculations of molecular electronic structures and properties and how they can be used to both analyze results and simplify calculations. Aspects of computer implementation are discussed, with particular reference to the cost benefits of utilizing symmetry. Overall, the target of this book is the intersection of symmetry and molecular electronic structure.

The highly qualified author uses simple language and a clear and logical layout of topics to make the book relevant to all involved in the field of computational chemistry. Content is also cross-referenced, resulting in a cohesive and guided approach throughout. Sample topics covered in the book

Graduate students, postdocs, and other researchers in computational quantum chemistry can use this book as a complete resource to understand how molecular symmetry intersects with their chosen disciplines.