Many-Body Methods for Atoms and Molecules

Rajat Kumar Chaudhuri

ISBN 10: 1482211904 / ISBN 13: 9781482211900

Published by CRC Press Okt 2016, 2016

About this Item

Neuware - This book addresses two major classes of theories of electron correlation: the many-body perturbation theory and coupled cluster methods. It discusses the issues related to the formal development and consequent numerical implementation of multi-reference coupled cluster and perturbation theories from the standpoint of a practicing theoretician. The book emphasizes theoretical details and related algebraic and diagrammatic derivations. It covers basic issues of electron correlation problems, such as perturbation theory and coupled cluster methods.

Seller Inventory # 9781482211900

Bibliographic Details

• Title: Many-Body Methods for Atoms and Molecules
• Publisher: CRC Press Okt 2016
• Publication Date: 2016
• Language: English
• ISBN 10: 1482211904
• ISBN 13: 9781482211900
• Binding: Buch
• Condition: Neu
• Dimensions: 241W x 161H x 20D millimeters 241 millimeters width by 161 millimeters height by 20 millimeters depth
• Weight: 492 grams

About this title

Synopsis

Brings Readers from the Threshold to the Frontier of Modern Research

Many-Body Methods for Atoms and Molecules addresses two major classes of theories of electron correlation: the many-body perturbation theory and coupled cluster methods. It discusses the issues related to the formal development and consequent numerical implementation of the methods from the standpoint of a practicing theoretician. The book will enable readers to understand the future development of state-of-the-art multi-reference coupled cluster methods as well as their perturbative counterparts.

The book begins with an introduction to the issues relevant to the development of correlated methods in general. It next gives a formally rigorous treatment of aspects that pave the foundation toward the theoretical development of methods capable of tackling problems of electronic correlation. The authors go on to cover perturbation theory first in a fundamental way and then in the multi-reference context. They also describe the idea of state-specific theories, Fock space-based multi-reference coupled cluster methods, and basic issues of the single-reference coupled cluster method. The book concludes with state-of-the-art methods of modern electronic structure.

About the Author

Dr. Rajat Kumar Chaudhuri is a professor at the Indian Institute of Astrophysics. His research interests lie at the interface of chemistry and physics with principal areas of focus on the development and applications of ab initio theories of atomic and molecular systems and theoretical spectroscopy. He has published over 150 scientific articles in the realm of theoretical chemistry.

Dr. Sudip Kumar Chattopadhyay is a professor of chemistry at the Indian Institute of Engineering Science and Technology, where he teaches basic and advanced quantum mechanics and quantum chemistry. His research interests include the development of electronic structure theories and their application to problems of broad chemical interest. He has also been working in the field of chemical dynamics in condensed phases. Dr. Chattopadhyay has published over 100 articles in journals of international repute