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Informationen zum Autor Isaiah Shavitt is an Emeritus Professor of Ohio State University, and currently serves as an Adjunct Professor of Chemistry at the University of Illinois at Urbana-Champaign. After receiving his Ph.D. in Theoretical Chemistry from the University of Cambridge in 1957, he went on to teach in the chemistry department of Israel Institute of Technology and serve as a Postdoctoral Fellow in Theoretical Chemistry at the University of Wisconsin and the IBM Watson Laboratory at Columbia University. He is an Elected Member of the International Academy of Quantum Molecular Science, and was awarded the 2000 Morley Medal of the Cleveland Section of the American Chemical Society. Rodney J. Bartlett, the Graduate Research Professor at the Quantum Theory Project, University of Florida, pioneered the development of coupled cluster (CC) theory in quantum chemistry to offer highly accurate solutions of the Schrödinger equation for molecular structure and spectra. He is a Fellow of the International Academy of Quantum Molecular Sciences (1991), the American Physical Society (1986), and the Guggenheim Foundation (1986). He has published over 500 papers and book chapters, presented over 200 invited lectures at major meetings, and received numerous awards. Klappentext Written by two leading experts in the field, this book explores the 'many-body' methods that have become the dominant approach in determining molecular structure, properties and interactions. With a tight focus on the highly popular Many-Body Perturbation Theory (MBPT) and Coupled-Cluster theories (CC), the authors present a simple, clear, unified approach to describe the mathematical tools and diagrammatic techniques employed. Using this book the reader will be able to understand, derive and confidently implement relevant algebraic equations for current and even new multi-reference CC methods. Hundreds of diagrams throughout the book enhance reader understanding through visualization of computational procedures and extensive referencing allows further exploration of this evolving area. With an extensive bibliography and detailed index, this book will be suitable for graduates and researchers within quantum chemistry, chemical physics and atomic, molecular and solid-state physics. Zusammenfassung Molecular and atomic interactions are explored using many-body quantum mechanical theory. This book is the first unified treatment describing the popular many-body-perturbation theory (MBPT) and coupled-cluster (CC) quantum mechanical theory. It introduces an unambiguous approach! teaching the reader to understand and confidently derive relevant equations for current methods. Inhaltsverzeichnis 1. Introduction; 2. Formal perturbation theory; 3. Second quantization; 4. Diagrammatic notation; 5. Diagrammatic expansions for perturbation theory; 6. Proof of the linked-diagram theorem; 7. Computational aspects of MBPT; 8. Open-shell and quasidegenerate perturbation theory; 9. Foundations of coupled-cluster theory; 10. Systematic derivation of the coupled-cluster equations; 11. Calculation of properties in coupled-cluster theory; 12. Additional aspects of coupled-cluster theory; 13. The equation-of-motion coupled-cluster method for excited, ionized and electron-attached states; 14. Multireference coupled-cluster methods....
About the author
Isaiah Shavitt is an Emeritus Professor of Ohio State University, and currently serves as an Adjunct Professor of Chemistry at the University of Illinois at Urbana-Champaign. After receiving his Ph.D. in Theoretical Chemistry from the University of Cambridge in 1957, he went on to teach in the chemistry department of Israel Institute of Technology and serve as a Postdoctoral Fellow in Theoretical Chemistry at the University of Wisconsin and the IBM Watson Laboratory at Columbia University. He is an Elected Member of the International Academy of Quantum Molecular Science, and was awarded the 2000 Morley Medal of the Cleveland Section of the American Chemical Society.Rodney J. Bartlett, the Graduate Research Professor at the Quantum Theory Project, University of Florida, pioneered the development of coupled cluster (CC) theory in quantum chemistry to offer highly accurate solutions of the Schrödinger equation for molecular structure and spectra. He is a Fellow of the International Academy of Quantum Molecular Sciences (1991), the American Physical Society (1986), and the Guggenheim Foundation (1986). He has published over 500 papers and book chapters, presented over 200 invited lectures at major meetings, and received numerous awards.
