Morphology of the f ⇆ f intensity parameters

被引:4
作者
Smentek, L [1 ]
机构
[1] Nicholas Copernicus Univ, Inst Phys, PL-87100 Torun, Poland
[2] Vanderbilt Univ, Dept Chem, Nashville, TN 37235 USA
关键词
D O I
10.1080/00268970050080591
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The structure of the intensity parameters understood within the framework of ab initio calculations is discussed. The model of f <--> f transitions is extended by completely new third-order effective operators that represent the direct perturbing influence of the specific mass shift effect. The importance of this new mechanism is established in relation to the values of second-order standard Judd-Ofelt terms. The hierarchy of important contributions to the transition amplitude is analysed in the light of the tremendous impact caused by electron correlation effects. The approach is illustrated by the results of numerical calculations performed for the Pr3+; Eu3+ and Sm3+ ions. Special attention is directed to the radial integrals of various effective operators that are evaluated for the complete radial basis sets of one-electron functions.
引用
收藏
页码:1233 / 1241
页数:9
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