EAN: 9783319936017

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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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20.03.2025 um 15:18 Uhr

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