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Vector Processing and Parallel Processing in Many—Body Perturbation Theory Calculations of Electron Correlation Effects in Atoms and Molecules

  • D. J. Baker
  • S. Wilson
  • D. Moncrieff

Abstract

The accurate treatment of electron correlation effects is central to atomic and molecular physics and to modern quantum chemistry. Over recent years, the trend in the development of techniques for handling the effects of electron correlation in atoms and molecules has been towards an increasing significance of perturbation theory both in practical applications and in the analysis and comparision of methods used in contemporary studies of many—electron systems. The rising popularity of many—body perturbation theory for quantum chemical calculations which go beyond the Hartree—Fock model is attributable to both the theoretical and the computational properties of the method. It is the close connection between these two properties that we wish to emphasize here.

Keywords

Pair Energy Vector Processing Electron Correlation Effect Rutherford Appleton Laboratory Float Point Operation 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© Plenum Press, New York 1990

Authors and Affiliations

  • D. J. Baker
    • 1
  • S. Wilson
    • 1
  • D. Moncrieff
    • 2
  1. 1.Rutherford Appleton LaboratoryChilton, OxfordshireEngland
  2. 2.ANU Supercomputer FacilityAustralian National UniversityCanberraAustralia

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