Skip to main content
SpringerLink
Log in

Methods in Computational Molecular Physics

  • Book
  • © 1983

Overview

Editors:
  1. G. H. F. Diercksen

    1. Max-Planck-Institute for Physics and Astrophysics, Garching, West Germany

    View editor publications

    You can also search for this editor in PubMed   Google Scholar

  2. S. Wilson

    1. Theoretical Chemistry Department, University of Oxford, Oxford, UK

    View editor publications

    You can also search for this editor in PubMed   Google Scholar

Part of the book series: Nato Science Series C: (ASIC, volume 113)

This is a preview of subscription content, log in via an institution to check access.

Access this book

Log in via an institution
eBook USD 169.00
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
Softcover Book USD 219.99
Price excludes VAT (USA)
  • Compact, lightweight edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info
Hardcover Book USD 219.99
Price excludes VAT (USA)
  • Durable hardcover edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info

Tax calculation will be finalised at checkout

Other ways to access

Licence this eBook for your library

Institutional subscriptions

Table of contents (13 chapters)

  1. Front Matter

    Pages i-vii
    Download chapter PDF

  2. Molecular Integrals for Gaussian Type Functions

    • V. R. Saunders
    Pages 1-36

  3. On the Evaluation of Exponential (Slater) Type Integrals

    • E. Otto Steinborn
    Pages 37-69

  4. Basis Sets

    • S. Wilson
    Pages 71-93

  5. Matrix Eigenvector Methods

    • Ernest R. Davidson
    Pages 95-113

  6. Group Theory Applied to CI Methods

    • B. T. Sutcliffe
    Pages 115-159

  7. The Multiconfigurational (MC) SCF Method

    • Björn O. Roos
    Pages 161-187

  8. The Direct CI Method

    • Per E. M. Siegbahn
    Pages 189-207

  9. Pair Correlation Theories

    • R. Ahlrichs
    Pages 209-226

  10. On a Green’s Function Method for the Calculation of Ionization Spectra in the Outer and Inner Valence Region

    • W. von Niessen, J. Schirmer, L. S. Cederbaum
    Pages 227-248

  11. Introductory Polarization Propagator Theory

    • Jens Oddershede
    Pages 249-270

  12. Diagrammatic Many-Body Perturbation Theory

    • S. Wilson
    Pages 273-298

  13. Schrödinger Spectra

    • P. W. Langhoff
    Pages 299-333

  14. Computers and Computation in Molecular Physics

    • G. H. F. Diercksen, N. E. Grüner, J. Steuerwald
    Pages 335-350

  15. Back Matter

    Pages 351-367
    Download chapter PDF
Back to top

Keywords

About this book

This NATO Advanced Study Institute was concerned with modern ab initio methods for the determination of the electronic structure of molecules. Recent years have seen considerable progress in computer technology and computer science and these developments have had a very significant influence on computational molecular physics. Progress in computer technology has led to increasingly larger and faster systems as well as powerful minicomputers. Simultaneous research in computer science has explored new methods for the optimal use of these resources. To a large extent develop­ ments in computer technology, computer science and computational molecular physics have been mutually dependent. The availability of new computational resources, particularly minicomputers and, more recently, vector processors, has stimulat'ed a great deal of research in molecular physics. Well established techniques have been reformulated to make more efficient use of the new computer technology and algorithms which were previously computationally intractable have now been successfully implemented. This research has given a new and exciting insight into molecular structure and molecular processes by enabling smaller systems to be studied in greater detail and larger systems to be studied for the first time.

Editors and Affiliations

  • Max-Planck-Institute for Physics and Astrophysics, Garching, West Germany

    G. H. F. Diercksen

  • Theoretical Chemistry Department, University of Oxford, Oxford, UK

    S. Wilson

Bibliographic Information

  • Book Title: Methods in Computational Molecular Physics

  • Editors: G. H. F. Diercksen, S. Wilson

  • Series Title: Nato Science Series C:

  • DOI: https://doi.org/10.1007/978-94-009-7200-1

  • Publisher: Springer Dordrecht

  • eBook Packages: Springer Book Archive

  • Copyright Information: D. Reidel Publishing Company, Dordrecht, Holland 1983

  • Hardcover ISBN: 978-90-277-1638-5Published: 31 August 1983

  • Softcover ISBN: 978-94-009-7202-5Published: 08 December 2011

  • eBook ISBN: 978-94-009-7200-1Published: 06 December 2012

  • Series ISSN: 1389-2185

  • Edition Number: 1

  • Number of Pages: VII, 367

  • Topics: Atomic, Molecular, Optical and Plasma Physics

Publish with us

Policies and ethics

Back to top

Search

Navigation