Many-body methods for atoms, molecules and clusters
著者
書誌事項
Many-body methods for atoms, molecules and clusters
（Lecture notes in chemistry, v. 94）
Springer, c2018
- : softcover
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注記
Includes bibliographical references and index
内容説明・目次
内容説明
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.
目次
I. Many-Electron Systems and the Electron Propagator1. Systems of identical particles 2. Second quantization 3. One-particle Green's function II. Formalism of Diagrammatic Perturbation Theory 4. Perturbation theory for the electron propagator 5. Introducing diagrams 6. Feynman diagrams 7. Time-ordered or Goldstone diagramsIII. Approximations and Computational Schemes 8. Self-energy and the Dyson equation 9. Algebraic-diagrammatic construction (ADC) 10. Direct ADC procedure for the electron propagator 11. Intermediate-state representation (ISR) 12. Order relations and separability IV. N-Electron Excitations 13. Polarization propagator 14. ADC and ISR approaches to the polarization propagator 15. Random-phase approximation (RPA) V. A Look at Related Methods 16. Algebraic propagator methods17. Coupled-cluster methods for generalized excitations Appendix A1 Basic tools A2 Proof of the Gell-Mann and Low theorem A3 Proof of Wick's theorem A4 Time-ordered diagrams: derivation of Goldstone rules A5 Dyson expansion method for the static self-energy part A6 Proofs of order relations A7 Linear response theory and the polarization propagator A8 Superoperator approach to the electron propagator A9 Compilation of ADC expressions
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