CORRELATED RELATIVISTIC CALCULATION OF THE GIANT-RESONANCE IN THE GD3-SPECTRUM( ABSORPTION)

Citation
S. Kotochigova et al., CORRELATED RELATIVISTIC CALCULATION OF THE GIANT-RESONANCE IN THE GD3-SPECTRUM( ABSORPTION), International journal of quantum chemistry, 65(5), 1997, pp. 575-584
Citations number
21
Categorie Soggetti
Chemistry Physical
ISSN journal
00207608
Volume
65
Issue
5
Year of publication
1997
Pages
575 - 584
Database
ISI
SICI code
0020-7608(1997)65:5<575:CRCOTG>2.0.ZU;2-R
Abstract
The aim of the present study is to extend the multiconfiguration Dirac -Fock approach to include spin polarization in order to study magnetic ally ordered systems. Routines handling time-dependent ionization phen omena adapted to multilevel and multichannel autoionization processes have been developed and used to describe the giant resonance in the Gd 3+ absorption spectrum. in our calculation of the complete energy stru cture of 4d(9)4f(8) configuration it is discovered that the majority o f the oscillator strength associated with the 4d-4f transitions is lim ited to a relatively narrow spectral width, creating a giant resonance . Our calculations take account of the most important correlation effe cts, and the agreement with the experimentally observed giant resonanc e in gadolinium is quite good. (C) 1997 John Wiley & Sons, Inc.