Correlated relativistic calculation of the giant resonance in the Gd3+ absorption spectrum

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в: International Journal of Quantum Chemistry, Том 65, № 5, 01.01.1997, стр. 575-584.

Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование

Author

Kotochigova, S. ; Levine, H. ; Tupitsyn, I. / Correlated relativistic calculation of the giant resonance in the Gd³⁺ absorption spectrum. в: International Journal of Quantum Chemistry. 1997 ; Том 65, № 5. стр. 575-584.

BibTeX

@article{4888bf7a3e38459586532c1d7b4e62d8,

title = "Correlated relativistic calculation of the giant resonance in the Gd3+ absorption spectrum",

abstract = "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.",

author = "S. Kotochigova and H. Levine and I. Tupitsyn",

year = "1997",

month = jan,

day = "1",

doi = "10.1002/(SICI)1097-461X(1997)65:5<575::AID-QUA22>3.0.CO;2-0",

language = "English",

volume = "65",

pages = "575--584",

journal = "International Journal of Quantum Chemistry",

issn = "0020-7608",

publisher = "Wiley-Blackwell",

number = "5",

}

RIS

TY - JOUR

T1 - Correlated relativistic calculation of the giant resonance in the Gd3+ absorption spectrum

AU - Kotochigova, S.

AU - Levine, H.

AU - Tupitsyn, I.

PY - 1997/1/1

Y1 - 1997/1/1

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=5644241796&partnerID=8YFLogxK

U2 - 10.1002/(SICI)1097-461X(1997)65:5<575::AID-QUA22>3.0.CO;2-0

DO - 10.1002/(SICI)1097-461X(1997)65:5<575::AID-QUA22>3.0.CO;2-0

M3 - Article

AN - SCOPUS:5644241796

VL - 65

SP - 575

EP - 584

JO - International Journal of Quantum Chemistry

JF - International Journal of Quantum Chemistry

SN - 0020-7608

IS - 5

ER -

ID: 49763973