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Autore: | Schirmer Jochen |
Titolo: | Many-Body Methods for Atoms, Molecules and Clusters / / by Jochen Schirmer |
Pubblicazione: | Cham : , : Springer International Publishing : , : Imprint : Springer, , 2018 |
Edizione: | 1st ed. 2018. |
Descrizione fisica: | 1 online resource (330 pages) |
Disciplina: | 530.144 |
Soggetto topico: | Chemistry, Physical and theoretical |
Mathematical physics | |
Chemometrics | |
Atomic structure | |
Molecular structure | |
Physical chemistry | |
Theoretical and Computational Chemistry | |
Theoretical, Mathematical and Computational Physics | |
Math. Applications in Chemistry | |
Mathematical Applications in the Physical Sciences | |
Atomic/Molecular Structure and Spectra | |
Physical Chemistry | |
Nota di contenuto: | 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. |
Sommario/riassunto: | 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. |
Titolo autorizzato: | Many-Body Methods for Atoms, Molecules and Clusters |
ISBN: | 3-319-93602-6 |
Formato: | Materiale a stampa |
Livello bibliografico | Monografia |
Lingua di pubblicazione: | Inglese |
Record Nr.: | 9910298607903321 |
Lo trovi qui: | Univ. Federico II |
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