Many-Body Methods for Atoms, Molecules and Clusters

Name: Many-Body Methods for Atoms, Molecules and Clusters
Author: Jochen Schirmer

Paperback Engels 2018 9783030066918

€ 138,99

In winkelwagen

Levertijd ongeveer 9 werkdagen

Gratis verzonden

Samenvatting

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.

Specificaties

ISBN13:9783030066918

Taal:Engels

Bindwijze:paperback

Uitgever:Springer International Publishing

Serie:Lecture Notes in Chemistry

Lezersrecensies

Wees de eerste die een lezersrecensie schrijft!

Schrijf een recensie

Uw waardering

?

Log in om uw waardering te geven

Klik om uw waardering te geven

Inhoudsopgave

I. Many-Electron Systems and the Electron Propagator<div>1. Systems of identical particles </div><div>2. Second quantization </div><div>3. One-particle Green’s function </div><div>II. Formalism of Diagrammatic Perturbation Theory </div><div>4. Perturbation theory for the electron propagator </div><div>5. Introducing diagrams </div><div>6. Feynman diagrams </div><div>7. Time-ordered or Goldstone diagrams</div><div>III. Approximations and Computational Schemes </div><div>8. Self-energy and the Dyson equation </div><div>9. Algebraic-diagrammatic construction (ADC) </div><div>10. Direct ADC procedure for the electron propagator </div><div>11. Intermediate-state representation (ISR) </div><div>12. Order relations and separability </div><div>IV. N-Electron Excitations </div><div>13. Polarization propagator  </div><div>14. ADC and ISR approaches to the polarization propagator </div><div>15. Random-phase approximation (RPA) </div><div>V. A Look at Related Methods </div><div>16. Algebraic propagator methods</div><div>17. Coupled-cluster methods for generalized excitations </div><div>Appendix </div><div>A1 Basic tools </div><div>A2 Proof of the Gell-Mann and Low theorem </div><div>A3 Proof of Wick’s theorem </div><div>A4 Time-ordered diagrams: derivation of Goldstone rules </div><div>A5 Dyson expansion method for the static self-energy part </div><div>A6 Proofs of order relations </div><div>A7 Linear response theory and the polarization propagator </div><div>A8 Superoperator approach to the electron propagator </div><div>A9 Compilation of ADC expressions </div>

Managementboek Top 100

Bekijk de volledige Managementboek Top 100

Uw winkelwagen

Many-Body Methods for Atoms, Molecules and Clusters

Samenvatting

Specificaties

Lezersrecensies

Inhoudsopgave

Managementboek Top 100

Rubrieken

Personen

Trefwoorden