Many-Body Methods in Chemistry and Physics: Mbpt and Coupled-Cluster Theory

ISBN-13: 9780521818322 / Angielski / Twarda / 2009 / 548 str.

Isaiah Shavitt

Opis

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

Recenzje

'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

Spis treści

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.