Many-Body Methods in Chemistry and Physics
MBPT and Coupled-Cluster Theory

This book describes the mathematical and diagrammatic techniques employed in the popular many-body methods to determine molecular structure, properties and interactions.

Isaiah Shavitt (Author), Rodney J. Bartlett (Author)

9780521818322, Cambridge University Press

Hardback, published 6 August 2009

548 pages, 19 tables
25.4 x 17.8 x 3 cm, 1.2 kg

'All research groups in theoretical chemistry will want to have this volume in their library; the book will form an essential part of any course on electron correlation.' Professor Nicholas Handy, University of Cambridge

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.

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.

Subject Areas: Physical chemistry [PNR], Atomic & molecular physics [PHM]