Published November 18, 2021 | Version v2
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Complex Atoms described by orthogonal operators

Authors/Creators

  • 1. Anton Pannekoek Institute for Astronomy

Description

This textbook aims at explaining the basic ideas and concepts underlying the
theory of orthogonal operators and its application to atomic spectroscopy.
Embedded between two more general parts on angular momentum theory and
relativity, the main principles are presented in chapter 14 of part II. With orthogonal
operators, standard deviations of energy fits are frequently reduced by an order of
magnitude and only elementary linear algebra is needed to project ab initio results of
any provenance onto an orthogonal basis of operators. The framework of orthogonal
operators is surely fortified with the support of Hartree-Fock calculations combined
with perturbation theory; B-splines are a strong tool to calculate the occurring one-
and two-electron excited states. These ab initio aspects are covered as well in part
II for this reason. Second quantization in the coupled form as an elegant method
to handle a wide variety of angular momentum problems is used throughout the
book in all three parts. In part III, second quantization is also used to show how a
jj → SL transformation yields fully relativistic results in SL−coupling. Hyperfine
structure and electromagnetic radiation are treated in some detail to illustrate the
potential of this formalism.

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