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Many-Body Methods for Atoms, Molecules and Clusters

✍ 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

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✦ 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.

✦ 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 Green’s 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
Algebraic–Diagrammatic 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

✦ Subjects


Ch


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