DOI

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.

Язык оригиналаанглийский
Страницы (с-по)575-584
Число страниц10
ЖурналInternational Journal of Quantum Chemistry
Том65
Номер выпуска5
DOI
СостояниеОпубликовано - 1 янв 1997

    Предметные области Scopus

  • Атомная и молекулярная физика и оптика
  • Физика конденсатов
  • Физическая и теоретическая химия

ID: 49763973