<P><EM>Brings Readers from the Threshold to the Frontier of Modern Research </EM></P> <P><STRONG>Many-Body Methods for Atoms and Molecules</STRONG> addresses two major classes of theories of electron correlation: the many-body perturbation theory and coupled cluster methods. It discusses the issues
Many-Body Methods for Atoms, Molecules and Clusters
β Scribed by Jochen Schirmer
- Publisher
- Springer International Publishing
- Year
- 2018
- Tongue
- English
- Leaves
- 330
- Series
- Lecture Notes in Chemistry 94
- Edition
- 1st ed.
- Category
- Library
No coin nor oath required. For personal study only.
β¦ Synopsis
This book provides an introduction to many-body methods for applications in quantum chemistry. These methods, originating in field-theory, offer an alternative to conventional quantum-chemical approaches to the treatment of the many-electron problem in molecules. Starting with a general introduction to the atomic and molecular many-electron problem, the book then develops a stringent formalism of field-theoretical many-body theory, culminating in the diagrammatic perturbation expansions of many-body Green's functions or propagators in terms of Feynman diagrams. It also introduces and analyzes practical computational methods, such as the field-tested algebraic-diagrammatic construction (ADC) schemes. The ADC concept can also be established via a wave-function based procedure, referred to as intermediate state representation (ISR), which bridges the gap between propagator and wave-function formulations. Based on the current rapid increase in computer power and the development of efficient computational methods, quantum chemistry has emerged as a potent theoretical tool for treating ever-larger molecules and problems of chemical and physical interest. Offering an introduction to many-body methods, this book appeals to advanced students interested in an alternative approach to the many-electron problem in molecules, and is suitable for any courses dealing with computational methods in quantum chemistry.
β¦ Table of Contents
Front Matter ....Pages i-xii
Front Matter ....Pages 1-1
Systems of Identical Particles (Jochen Schirmer)....Pages 3-17
Second Quantization (Jochen Schirmer)....Pages 19-30
One-Particle Greenβs Function (Jochen Schirmer)....Pages 31-41
Front Matter ....Pages 43-43
Perturbation Theory for the Electron Propagator (Jochen Schirmer)....Pages 45-60
Introducing Diagrams (Jochen Schirmer)....Pages 61-73
Feynman Diagrams (Jochen Schirmer)....Pages 75-93
Time-Ordered or Goldstone Diagrams (Jochen Schirmer)....Pages 95-108
Front Matter ....Pages 109-109
Self-Energy and the Dyson Equation (Jochen Schirmer)....Pages 111-134
AlgebraicβDiagrammatic Construction (ADC) (Jochen Schirmer)....Pages 135-146
Direct ADC Procedure for the Electron Propagator (Jochen Schirmer)....Pages 147-159
Intermediate-State Representation (ISR) (Jochen Schirmer)....Pages 161-175
Order Relations and Separability (Jochen Schirmer)....Pages 177-191
Front Matter ....Pages 193-193
Polarization Propagator (Jochen Schirmer)....Pages 195-204
ADC and ISR Approaches to the Polarization Propagator (Jochen Schirmer)....Pages 205-221
Random-Phase Approximation (RPA) (Jochen Schirmer)....Pages 223-237
Front Matter ....Pages 239-239
Algebraic Propagator Methods (Jochen Schirmer)....Pages 241-254
Coupled-Cluster Methods for Generalized Excitations (Jochen Schirmer)....Pages 255-267
Back Matter ....Pages 269-332
β¦ Subjects
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π SIMILAR VOLUMES
This book is the proceedings of an International Conference on Many-Particle Spectroscopy of Atoms, Molecules, and Surfaces, held 26-29 July 2000, in Halle (Saale), Germany. In a many-particle coincidence experiment one measures the spectrum of a few particles simultaneously emitted from a prob
This book provides a comprehensive review of seminal as well as recent results in the theory of condensed phases, including liquid metals, quantum liquids and Wigner crystals, along with selected applications, especially in the physical chemistry of molecules and clusters. A large part of this work
<p><B>Clusters of Atoms and Molecules </B>is devoted to theoretical concepts and experimental techniques important in the rapidly expanding field of cluster science. Cluster properties are dicussed for clusteres composed of alkali metals, semiconductors, transition metals, carbon, oxides and halides
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 (
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 (