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Methods in Computational Chemistry pp 1–71Cite as

Relativistic Atomic Structure Calculations

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Abstract

This review surveys methods for computing the electronic structures of atoms based on the use of relativistic quantum mechanics. The main mathematical formulas are presented with some account of the underlying physical assumptions. The way in which these formulas are translated into practical computer codes is briefly discussed as well.

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  1. Department of Theoretical Chemistry, Oxford University, Oxford, OX1 3TG, England

    Ian P. Grant

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  1. Rutherford Appleton Laboratory, Oxfordshire, England

    Stephen Wilson

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Grant, I.P. (1988). Relativistic Atomic Structure Calculations. In: Wilson, S. (eds) Methods in Computational Chemistry. Springer, Boston, MA. https://doi.org/10.1007/978-1-4613-0711-2_1

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