Algebraic Theory of Molecules presents a fresh look at the mathematics of wave functions that provide the theoretical underpinnings of molecular spectroscopy. Written by renowned authorities in the field, the book demonstrates the advantages of algebraic theory over the more conventional geometric approach to developing the formal quantum mechanics inherent in molecular spectroscopy. Many examples are provided that compare the algebraic and geometric methods, illustrating the relationship between the algebraic approach and current experiments. The authors develop their presentation from a basic level so as to enable newcomers to enter the field while providing enough details and concrete examples to serve as a reference for the expert. Chemical physicists, physical chemists, and spectroscopists will want to read this exciting new approach to molecular spectroscopy.

Algebraic Theory of Molecules presents a fresh look at the mathematics of wave functions that provide the theoretical underpinnings of molecular spectroscopy. Written by renowned authorities in the field, the book demonstrates the advantages of algebraic theory over the more conventional geometric approach to developing the formal quantum mechanics inherent in molecular spectroscopy. Many examples are provided that compare the algebraic and geometric methods, illustrating the relationship between the algebraic approach and current experiments. The authors develop their presentation from a basic level so as to enable newcomers to enter the field while providing enough details and concrete examples to serve as a reference for the expert. Chemical physicists, physical chemists, and spectroscopists will want to read this exciting new approach to molecular spectroscopy.

This text on the use of electron correlation effects in the description of the electronic structure of atoms, molecules, and crystals is intended for graduate students in physical chemistry and physics. Modern theories of electronic structure and methods of incorporating electron correlation contributions are developed using a diagrammatic and algebraic formulation, and the methods developed in the text are illustrated with examples from molecular and solid state quantum mechanics. A brief Introduction is followed by chapters on operator algebra, the independent-particle model, occupation-number formalism, and diagrams. Additional topics include the configuration-interaction method, the many-body perturbation theory, and the coupled-cluster method.

Whenever systems are governed by continuous chains of causes and effects, their behavior exhibits the consequences of dynamical symmetries, many of them far from obvious. Dynamical Symmetry introduces the reader to Sophus Lie's discoveries of the connections between differential equations and continuous groups that underlie this observation. It develops and applies the mathematical relations between dynamics and geometry that result. Systematic methods for uncovering dynamical symmetries are described, and put to use. Much material in the book is new and some has only recently appeared in research journals. Though Lie groups play a key role in elementary particle physics, their connection with differential equations is more often exploited in applied mathematics and engineering. Dynamical Symmetry bridges this gap in a novel manner designed to help readers establish new connections in their own areas of interest. Emphasis is placed on applications to physics and chemistry. Applications to many of the other sciences illustrate both general principles and the ubiquitousness of dynamical symmetries.

This book presents the up-to-date status of quantum theory and the outlook for its development in the 21st century. The covered topics include basic problems of quantum physics, with emphasis on the foundations of quantum theory, quantum computing and control, quantum optics, coherent states and Wigner functions, as well as on methods of quantum physics based on Lie groups and algebras, quantum groups and noncommutative geometry.

This multi-author contributed volume contains chapters featuring the development of the DV-Xα method and its application to a variety of problems in Materials Science and Spectroscopy written by leaders of the respective fields. The volume contains a Foreword written by the Chairs of Japanese and Korea DV-X alpha Societies. This book is aimed at individuals working in Quantum Chemistry.