miun.sePublications
Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • harvard1
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf
An atomic program for energy levels of equivalent electrons: lanthanides and actinides
Mid Sweden University, Faculty of Science, Technology and Media, Department of Information Technology and Media.
Mid Sweden University, Faculty of Science, Technology and Media, Department of Information Technology and Media.
Responsible organisation
2001 (English)In: Computer Physics Communications, ISSN 0010-4655, E-ISSN 1879-2944, Vol. 133, no 2/3, 396-406 p.Article in journal (Refereed) Published
Abstract [en]

A program written in C is presented to carry out brute force calculations in order to derive energy levels for an equivalent electronic configuration. Relativistic effects are partly neglected except for the spin-orbit interaction. Since the main relativistic effects are indirect, i.e. causing a contraction of the core which in turn causes the outer shells to expand, they are included to a high degree through the use of appropriate Slater integrals. The program is especially useful for primarily unfilled f-shells of the rare-earth or actinide ions. Modifications of the program to include spin−spin, spin−other orbit, Breit interaction etc. is straight forward. The program is also general in the sense that there is no need to find out or generate any Racah coefficients of fractional parentage. The complete energy matrix is diagonalized with all operators interacting simultaneously thus allowing mixing of all quantum numbers. This result in all energy eigenvalues and eigenvectors that in turn for example are partly responsible for the polarized dipole, quadrupole, … transitions within the unfilled shell. Free ion configuration interaction is accounted for through the use of standard CI operators. The Stark splitting can be studied via the standard crystal field Hamiltonian. Magnetic field influence on the energy levels may also be studied.

Place, publisher, year, edition, pages
2001. Vol. 133, no 2/3, 396-406 p.
Keyword [en]
f-electrons, rare-earth, actinides
National Category
Electrical Engineering, Electronic Engineering, Information Engineering
Identifiers
URN: urn:nbn:se:miun:diva-1575DOI: 10.1016/S0010-4655(00)00171-5ISI: 000166333100008Scopus ID: 2-s2.0-0035148102Local ID: 579OAI: oai:DiVA.org:miun-1575DiVA: diva2:26607
Available from: 2008-09-30 Created: 2008-09-30 Last updated: 2016-10-11Bibliographically approved

Open Access in DiVA

No full text

Other links

Publisher's full textScopus

Search in DiVA

By author/editor
Edvardsson, SverkerÅberg, Daniel
By organisation
Department of Information Technology and Media
In the same journal
Computer Physics Communications
Electrical Engineering, Electronic Engineering, Information Engineering

Search outside of DiVA

GoogleGoogle Scholar

Altmetric score

Total: 312 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • harvard1
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf