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Methods in Computational Molecular Physics

  • G. H. F. Diercksen
  • S. Wilson

Part of the NATO ASI Series book series (ASIC, volume 113)

Table of contents

  1. Front Matter
    Pages i-vii
  2. S. Wilson
    Pages 71-93
  3. Ernest R. Davidson
    Pages 95-113
  4. B. T. Sutcliffe
    Pages 115-159
  5. Björn O. Roos
    Pages 161-187
  6. Per E. M. Siegbahn
    Pages 189-207
  7. R. Ahlrichs
    Pages 209-226
  8. Jens Oddershede
    Pages 249-270
  9. P. W. Langhoff
    Pages 299-333
  10. G. H. F. Diercksen, N. E. Grüner, J. Steuerwald
    Pages 335-350
  11. Back Matter
    Pages 351-367

About this book

Introduction

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.

Keywords

molecular physics molecule spectra

Editors and affiliations

  • G. H. F. Diercksen
    • 1
  • S. Wilson
    • 2
  1. 1.Max-Planck-Institute for Physics and AstrophysicsGarchingWest Germany
  2. 2.Theoretical Chemistry DepartmentUniversity of OxfordOxfordUK

Bibliographic information

  • DOI https://doi.org/10.1007/978-94-009-7200-1
  • Copyright Information Springer Science+Business Media B.V. 1983
  • Publisher Name Springer, Dordrecht
  • eBook Packages Springer Book Archive
  • Print ISBN 978-94-009-7202-5
  • Online ISBN 978-94-009-7200-1
  • Series Print ISSN 1389-2185
  • Buy this book on publisher's site
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