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Record Nr. |
UNINA9910298607903321 |
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Autore |
Schirmer Jochen |
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Titolo |
Many-Body Methods for Atoms, Molecules and Clusters / / by Jochen Schirmer |
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Pubbl/distr/stampa |
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Cham : , : Springer International Publishing : , : Imprint : Springer, , 2018 |
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ISBN |
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Edizione |
[1st ed. 2018.] |
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Descrizione fisica |
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1 online resource (330 pages) |
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Collana |
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Lecture Notes in Chemistry, , 0342-4901 ; ; 94 |
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Disciplina |
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Soggetti |
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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 |
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Lingua di pubblicazione |
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Formato |
Materiale a stampa |
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Livello bibliografico |
Monografia |
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Nota di contenuto |
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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 -- |
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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. |
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Sommario/riassunto |
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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. |
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