Many-Body Methods for Atoms, Molecules and Clusters

Jochen Schirmer (Autor)

Buch | Softcover

XII, 332 Seiten

2018 | 1. Softcover reprint of the original 1st ed. 2018
Springer International Publishing (Verlag)
978-3-030-06691-8 (ISBN)

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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.

Prof. Dr. Jochen Schirmer studied physics at the universities of Munich and Göttingen (Germany). He obtained his physics diploma from the University of Munich and earned his PhD at Physics Department of the Technical University of Munich in 1977. Subsequently he held research positions as post-doctoral fellow at the University in Freiburg and at the Theoretical Chemistry group of L.S. Cederbaum in Heidelberg. From 1983-87, he worked at the Fritz-Haber-Institute of the Max Planck Society in Berlin, but finished his habilitation in Heidelberg in 1985. Prof. Schirmer further visited the University in Kaiserslautern (1987-89) and the California Institute of Technology, Pasadena, USA (1987/88) before finally returning to Heidelberg as professor for Physical Chemistry. He retired from this position in 2009.

Part I Many-Electron Systems and the Electron Propagator.- Systems of identical particles.- Second quantization.- One-particle Green's function.- Part II Formalism of Diagrammatic Perturbation Theory.- Perturbation theory for the electron propagator.- Introducing diagrams.- Feynman diagrams.- Time-ordered or Goldstone diagrams.- Part III Approximation and Computational Schemes.- Self-energy and the Dyson equation.- Algebraic-diagrammatic construction (ADC).- Direct ADC procedure for the electron propagator.- Intermediate-state representation (ISR).- Order relations and separability.- Part IV N-Electronic excitations.- Polarization propagator.- ADC and ISR approaches to the polarization propagator.- Random-phase approximation (RPA).- Part V. A look at related methods.- Algebraic propagator methods.- Coupled-cluster methods for generalized excitations.- Appendix.

Erscheint lt. Verlag	13.12.2018
Reihe/Serie	Lecture Notes in Chemistry
Zusatzinfo	XII, 332 p. 53 illus., 2 illus. in color.
Verlagsort	Cham
Sprache	englisch
Maße	155 x 235 mm
Gewicht	710 g
Themenwelt	Naturwissenschaften ► Chemie ► Physikalische Chemie
Themenwelt	Naturwissenschaften ► Physik / Astronomie ► Atom- / Kern- / Molekularphysik
Schlagworte	Algebraic-diagrammatic construction (ADC) • Diagrammatic perturbation theory • Dyson equation • Electronic states and transitions in molecules • Electron propagator • Feynman diagrams • Field-theoretical many-body methods • Fundamentals of many-body physics • Goldstone diagrams • Green’s function • Green's Function • Many-body methods in quantum chemistry • Many-electron Systems
ISBN-10	3-030-06691-6 / 3030066916
ISBN-13	978-3-030-06691-8 / 9783030066918
Zustand	Neuware