Computational Atomic Structure: Applications to Astrophysics and Nuclear Structure
(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 DiracCoulomb Hamiltonian is needed. Chapter two of the thesis provides an introduction to the basic principles of the fully relativistic multiconfiguration DiracHartreeFock (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 DiracCoulomb Hamiltonian is needed. Chapter two of the thesis provides an introduction to the basic principles of the fully relativistic multiconfiguration DiracHartreeFock (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:
https://lup.lub.lu.se/record/558a42e232334e7ebd71437cd3efe310
 author
 Papoulia, Asimina ^{LU}
 supervisor

 Tomas Brage ^{LU}
 Per Jönsson ^{LU}
 Jörgen Ekman ^{LU}
 organization
 publishing date
 20200207
 type
 Thesis
 publication status
 published
 subject
 pages
 104 pages
 publisher
 MediaTryck Lund
 ISBN
 9789178954360
 9789178954377
 language
 English
 LU publication?
 yes
 id
 558a42e232334e7ebd71437cd3efe310
 date added to LUP
 20200921 14:31:46
 date last changed
 20200925 13:10:04
@misc{558a42e232334e7ebd71437cd3efe310, 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 DiracCoulomb Hamiltonian is needed. Chapter two of the thesis provides an introduction to the basic principles of the fully relativistic multiconfiguration DiracHartreeFock (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 = {9789178954360}, language = {eng}, month = {02}, note = {Licentiate Thesis}, publisher = {MediaTryck Lund}, title = {Computational Atomic Structure: Applications to Astrophysics and Nuclear Structure}, year = {2020}, }