The aim of the present study is to extend the multiconfiguration Dirac-Fock approach to include spin polarization in order to study magnetically ordered systems. Routines handling time-dependent ionization phenomena adapted to multilevel and multichannel autoionization processes have been developed and used to describe the giant resonance in the Gd3+ absorption spectrum. In our calculation of the complete energy structure of 4d94f8 configuration it is discovered that the majority of the oscillator strength associated with the 4d-4f transitions is limited to a relatively narrow spectral width, creating a giant resonance. Our calculations take account of the most important correlation effects, and the agreement with the experimentally observed giant resonance in gadolinium is quite good.

Original languageEnglish
Pages (from-to)575-584
Number of pages10
JournalInternational Journal of Quantum Chemistry
Volume65
Issue number5
DOIs
StatePublished - 1 Jan 1997

    Scopus subject areas

  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

ID: 49763973