Skip to main content
main-content

Über dieses Buch

Brillouin-Wigner Methods for Many-Body Systems gives an introduction to many-body methods in electronic structure theory for the graduate student and post-doctoral researcher. It provides researchers in many-body physics and theoretical chemistry with an account of Brillouin-Wigner methodology as it has been developed in recent years to handle the multireference correlation problem. Moreover, the frontiers of this research field are defined.

This volume is of interest to atomic and molecular physicists, physical chemists and chemical physicists, quantum chemists and condensed matter theorists, computational chemists and applied mathematicians.

Inhaltsverzeichnis

Frontmatter

1. Introduction

An overview of the many-body problem in atomic and molecular physics and in quantum chemistry is given. Some historical background on the Brillouin–Wigner methodology is presented together with basic derivations of the Rayleigh–Schrödinger and the Brillouin–Wigner perturbation theories. The elementary formulations of the two theories are compared. The recent resurgence of interest in Brillouin–Wigner methodology, particularly in studies of the multi-reference correlation problem, is explained.

Ivan Hubač, Stephen Wilson

2. Brillouin-Wigner Perturbation Theory

The partitioning technique is described in some detail. The concept of a model space is introduced and the wave operator and the reaction operator are defined. Using these ideas, both the Rayleigh–Schrödinger and the Brillouin–Wigner expansions are developed, first for the case of a single-reference function and then for the multi-reference case.

Ivan Hubač, Stephen Wilson

3. The Many-Body Problem in Atoms and Molecules

The many-body problem in atomic and molecular physics and in quantum chemistry is described. The second-quantization formulation is introduced together with the diagrammatic techniques which form an essential ingredient of many-body methodology. The use of coupled cluster expansions, mixing of configurations (or configuration interaction) and perturbation theory series for the description of electron correlation effects is considered.

Ivan Hubač, Stephen Wilson

4. Brillouin-Wigner Methods for Many-Body Systems

The Brillouin–Wigner many-body problem in atomic and molecular physics and in quantum chemistry is described. The use of coupled cluster expansions, configuration interaction and perturbation series is considered both for the single-reference function case and for those cases requiring the use of a multi-reference formalism.

Ivan Hubač, Stephen Wilson

5. Summary and Prospects

A summary of the present status of Brillouin–Wigner many-body methodology is given. Future prospects are assessed.

Ivan Hubač, Stephen Wilson

Backmatter

Weitere Informationen

Premium Partner

Neuer Inhalt

BranchenIndex Online

Die B2B-Firmensuche für Industrie und Wirtschaft: Kostenfrei in Firmenprofilen nach Lieferanten, Herstellern, Dienstleistern und Händlern recherchieren.

Whitepaper

- ANZEIGE -

Best Practices für die Mitarbeiter-Partizipation in der Produktentwicklung

Unternehmen haben das Innovationspotenzial der eigenen Mitarbeiter auch außerhalb der F&E-Abteilung erkannt. Viele Initiativen zur Partizipation scheitern in der Praxis jedoch häufig. Lesen Sie hier  - basierend auf einer qualitativ-explorativen Expertenstudie - mehr über die wesentlichen Problemfelder der mitarbeiterzentrierten Produktentwicklung und profitieren Sie von konkreten Handlungsempfehlungen aus der Praxis.
Jetzt gratis downloaden!

Bildnachweise