On the Accuracy of the Algebraic Approximation in Relativistic Electronic Structure Calculations

  • H. M. Quiney
  • I. P. Grant
  • S. Wilson
Chapter
Part of the NATO ASI Series book series (ASIC, volume 271)

Abstract

The accuracy of relativistic electronic structure calculations for atomic systems made within the algebraic approximation, that is by making a finite basis set expansion, is assessed by comparison with results obtained by using finite-difference methods. It is demonstrated that the accuracy achieved in numerical studies can be matched by calculations performed within the algebraic approximation. Some advantages of the basis set expansion approach are emphasized.

Keywords

Algebraic Approximation Point Nucleus Finite Difference Calculation Perturbation Theory Calculation Diagrammatic Term 
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

© Kluwer Academic Publishers 1989

Authors and Affiliations

  • H. M. Quiney
    • 1
  • I. P. Grant
    • 1
  • S. Wilson
    • 2
  1. 1.Theoretical Chemistry DepartmentUniversity of OxfordOxfordEngland
  2. 2.Rutherford Appleton LaboratoryChilton, OxfordshireEngland

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