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The Effects of Relativity in Atoms, Molecules, and the Solid State

  • Book
  • © 1991

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Editors:
  1. S. Wilson

    1. Rutherford Appleton Laboratory, Oxfordshire, UK

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  2. I. P. Grant

    1. University of Oxford, Oxford, UK

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  3. B. L. Gyorffy

    1. University of Bristol, Bristol, UK

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Table of contents (22 chapters)

  1. Front Matter

    Pages i-viii
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  2. Relativistic Effects on Periodic Trends

    1. Relativistic Effects on Periodic Trends

      • Pekka Pyykkö
      Pages 1-13

  4. Molecules

    1. Front Matter

      Pages 133-133
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    2. Nonsingular Relativistic Perturbation Theory and Relativistic Changes of Molecular Structure

      • W. H. E. Schwarz, A. Rutkowski, G. Collignon
      Pages 135-147

    3. Basis Set Expansion Dirac-Fock SCF Calculations and MBPT Refinement

      • Yasuyuki Ishikawa
      Pages 149-162

    4. Comment on “Basis Set Expansion Dirac—Fock SCF Calculations and Mbpt Refinement ” by Y. Ishikawa

      • Pekka Pyykkö
      Pages 163-165

    5. Polyatomic Molecular Dirac-Hartree-Fock Calculations with Gaussian Basis Sets

      • Kenneth G. Dyall, Knut Fægri Jr., Peter R. Taylor
      Pages 167-184

    6. Open Shell Relativistic Molecular Dirac-Hartree-Fock SCF-Program

      • O. Visser, P. J. C. Aerts, L. Visscher
      Pages 185-195

    7. General contraction in four-component relativistic Hartree-Fock calculations

      • L. Visscher, P. J. C. Aerts, O. Visser
      Pages 197-205

    8. Accurate Relativistic Dirac-Fock and MBPT Calculations on Argon with Basis Sets of Contracted Gaussian Functions

      • Yasuyuki Ishikawa, R. C. Binning Jr.
      Pages 207-214

    9. Comment on “Accurate Relativistic Dirac—Fock and MBPT Calculations on Argon with Basis sets of Contracted Gaussian Functions” by Y. Ishikawa and R. C. Binning Jr

      • K. G. Dyall
      Pages 215-215

    10. Relativistic Many—Body Perturbation Theory of Atomic and Molecular Electronic Structure

      • Stephen Wilson
      Pages 217-251

  5. Solid State

    1. Front Matter

      Pages 253-253
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Keywords

About this book

Recent years have seen a growing interest in the effects of relativity in atoms, molecules and solids. On the one hand, this can be seen as result of the growing awareness of the importance of relativity in describing the properties of heavy atoms and systems containing them. This has been fueled by the inadequacy of physical models which either neglect relativity or which treat it as a small perturbation. On the other hand, it is dependent upon the technological developments which have resulted in computers powerful enough to make calculations on heavy atoms and on systems containing heavy atoms meaningful. Vector processing and, more recently, parallel processing techniques are playing an increasingly vital role in rendering the algorithms which arise in relativistic studies tractable. This has been exemplified in atomic structure theory, where the dominant role of the central nuclear charge simplifies the problem enough to permit some prediction to be made with high precision, especially for the highly ionized atoms of importance in plasma physics and in laser confinement studies. Today's sophisticated physical models of the atom derived from quantum electrodynamics would be intractable without recourse to modern computational machinery. Relativistic atomic structure calculations have a history dating from the early attempts of Swirles in the mid 1930's but continue to provide one of the primary test beds of modern theoretical physics.

Editors and Affiliations

  • Rutherford Appleton Laboratory, Oxfordshire, UK

    S. Wilson

  • University of Oxford, Oxford, UK

    I. P. Grant

  • University of Bristol, Bristol, UK

    B. L. Gyorffy

Bibliographic Information

  • Book Title: The Effects of Relativity in Atoms, Molecules, and the Solid State

  • Editors: S. Wilson, I. P. Grant, B. L. Gyorffy

  • DOI: https://doi.org/10.1007/978-1-4615-3702-1

  • Publisher: Springer New York, NY

  • eBook Packages: Springer Book Archive

  • Copyright Information: Springer Science+Business Media New York 1991

  • Hardcover ISBN: 978-0-306-43888-2Published: 30 September 1991

  • Softcover ISBN: 978-1-4613-6646-1Published: 05 November 2012

  • eBook ISBN: 978-1-4615-3702-1Published: 06 December 2012

  • Edition Number: 1

  • Number of Pages: VIII, 352

  • Topics: Atomic, Molecular, Optical and Plasma Physics, Theoretical, Mathematical and Computational Physics

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