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Many-Body Methods for Atoms, Molecules and Clusters

  • Jochen Schirmer

Part of the Lecture Notes in Chemistry book series (LNC, volume 94)

Table of contents

  1. Front Matter
    Pages i-xii
  2. Many-Electron Systems and the Electron Propagator

    1. Front Matter
      Pages 1-1
    2. Jochen Schirmer
      Pages 3-17
    3. Jochen Schirmer
      Pages 19-30
    4. Jochen Schirmer
      Pages 31-41
  3. Formalism of Diagrammatic Perturbation Theory

    1. Front Matter
      Pages 43-43
    2. Jochen Schirmer
      Pages 61-73
    3. Jochen Schirmer
      Pages 75-93
    4. Jochen Schirmer
      Pages 95-108
  4. Approximations and Computational Schemes

    1. Front Matter
      Pages 109-109
    2. Jochen Schirmer
      Pages 111-134
    3. Jochen Schirmer
      Pages 135-146
    4. Jochen Schirmer
      Pages 147-159
    5. Jochen Schirmer
      Pages 161-175
    6. Jochen Schirmer
      Pages 177-191
  5. N-Electron Excitations

    1. Front Matter
      Pages 193-193
    2. Jochen Schirmer
      Pages 195-204
    3. Jochen Schirmer
      Pages 223-237
  6. A Look at Related Methods

    1. Front Matter
      Pages 239-239
    2. Jochen Schirmer
      Pages 241-254
  7. Back Matter
    Pages 269-332

About this book

Introduction

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.

Keywords

Many-body methods in quantum chemistry Field-theoretical many-body methods Electronic states and transitions in molecules Feynman diagrams Algebraic-diagrammatic construction (ADC) Fundamentals of many-body physics Many-electron systems Electron propagator Diagrammatic perturbation theory Green’s function Goldstone diagrams Dyson equation

Authors and affiliations

  • Jochen Schirmer
    • 1
  1. 1.Institute of Physical ChemistryHeidelberg UniversityHeidelbergGermany

Bibliographic information

  • DOI https://doi.org/10.1007/978-3-319-93602-4
  • Copyright Information Springer Nature Switzerland AG 2018
  • Publisher Name Springer, Cham
  • eBook Packages Chemistry and Materials Science
  • Print ISBN 978-3-319-93601-7
  • Online ISBN 978-3-319-93602-4
  • Series Print ISSN 0342-4901
  • Series Online ISSN 2192-6603
  • Buy this book on publisher's site
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