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Computational Atomic Structure: Applications to Astrophysics and Nuclear Structure

Papoulia, Asimina LU (2020)
Abstract
This thesis deals with the modelling of atoms and ions. In heavy systems, where the effect of the nuclear size must be considered, a fully relativistic treatment based on the Dirac-Coulomb Hamiltonian is needed. Chapter two of the thesis provides an introduction to the basic principles of the fully relativistic multiconfiguration Dirac-Hartree-Fock (MCDHF) method, which is a variational approach for determining the wave functions. After we demonstrate how to obtain the best approximation of the wave functions by optimizing the energy expression, we describe how to compute the eigenvalues of operators other than the Hamiltonian, and how these eigenvalues correspond to measurable quantities. Chapter three and four, respectively, summarize... (More)
This thesis deals with the modelling of atoms and ions. In heavy systems, where the effect of the nuclear size must be considered, a fully relativistic treatment based on the Dirac-Coulomb Hamiltonian is needed. Chapter two of the thesis provides an introduction to the basic principles of the fully relativistic multiconfiguration Dirac-Hartree-Fock (MCDHF) method, which is a variational approach for determining the wave functions. After we demonstrate how to obtain the best approximation of the wave functions by optimizing the energy expression, we describe how to compute the eigenvalues of operators other than the Hamiltonian, and how these eigenvalues correspond to measurable quantities. Chapter three and four, respectively, summarize the work done in the two published papers, illustrating some of the applications of the relativistic atomic structure theory.

Paper I is an example of atomic structure calculations for astrophysical applications. Extensive amount of atomic transition data are produced for the systems of neutral and singly ionized aluminium that can be used to improve the interpretation of abundances in stars.

Paper II demonstrates a novel method, in which the atomic structure calculations of isotope shifts are combined with experimental data, for extracting nuclear properties other than the charge radii. (Less)
Please use this url to cite or link to this publication:
author
supervisor
organization
publishing date
type
Thesis
publication status
published
subject
pages
104 pages
publisher
MediaTryck Lund
ISBN
978-91-7895-436-0
978-91-7895-437-7
language
English
LU publication?
yes
id
558a42e2-3233-4e7e-bd71-437cd3efe310
date added to LUP
2020-09-21 14:31:46
date last changed
2020-09-25 13:10:04
@misc{558a42e2-3233-4e7e-bd71-437cd3efe310,
  abstract     = {This thesis deals with the modelling of atoms and ions. In heavy systems, where the effect of the nuclear size must be considered, a fully relativistic treatment based on the Dirac-Coulomb Hamiltonian is needed. Chapter two of the thesis provides an introduction to the basic principles of the fully relativistic multiconfiguration Dirac-Hartree-Fock (MCDHF) method, which is a variational approach for determining the wave functions. After we demonstrate how to obtain the best approximation of the wave functions by optimizing the energy expression, we describe how to compute the eigenvalues of operators other than the Hamiltonian, and how these eigenvalues correspond to measurable quantities. Chapter three and four, respectively, summarize the work done in the two published papers, illustrating some of the applications of the relativistic atomic structure theory.<br/><br/>Paper I is an example of atomic structure calculations for astrophysical applications. Extensive amount of atomic transition data are produced for the systems of neutral and singly ionized aluminium that can be used to improve the interpretation of abundances in stars. <br/><br/>Paper II demonstrates a novel method, in which the atomic structure calculations of isotope shifts are combined with experimental data, for extracting nuclear properties other than the charge radii.},
  author       = {Papoulia, Asimina},
  isbn         = {978-91-7895-436-0},
  language     = {eng},
  month        = {02},
  note         = {Licentiate Thesis},
  publisher    = {MediaTryck Lund},
  title        = {Computational Atomic Structure: Applications to Astrophysics and Nuclear Structure},
  year         = {2020},
}