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Abstract:
Wavefimction-based ab-initio calculations of the electric-dipole moments of 4f(N)-4f(N) transitions of lanthanide ions are performed to extract the A(tp)(lambda) intensity parameters. The extraction method is an extension of our earlier calculations of crystal-field (CF) parameters for lanthanide ions in crystals. The CASSCF/RASSI-SO (Complete-Active-Space Self-Consistent-Field/Restricted-Active-Space State-Interaction Spin-Orbit) calculations have been carried out on the chosen model system of CaF2: Ce3+ with an interstitial fluoride ion (F-i(-)) on z-axis (Ce3+ ion occupying the C-4v symmetry site). In consideration of the site symmetry and the coordination situation of Ce3+ ion at C-4v site in CaF2 as well as the superposition model (SM), the calculated intensity parameters for Ce3+ ion can be classified into three categories, and detailed discussions are then given. (C) 2013 Elsevier B.V. All rights reserved.
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JOURNAL OF LUMINESCENCE
ISSN: 0022-2313
Year: 2014
Volume: 152
Page: 54-57
2 . 7 1 9
JCR@2014
3 . 3 0 0
JCR@2023
ESI Discipline: PHYSICS;
ESI HC Threshold:213
JCR Journal Grade:1
CAS Journal Grade:2
Cited Count:
WoS CC Cited Count: 13
SCOPUS Cited Count: 13
ESI Highly Cited Papers on the List: 0 Unfold All
WanFang Cited Count:
Chinese Cited Count:
30 Days PV: 0
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