The centroid shift of the 5d levels of Ce3+ with respect to the 4f levels in ionic crystals, a theoretical investigation

被引：9

作者：

Andriessen, J ^{[1
]}

Dorenbos, P ^{[1
]}

van Eijk, CWE ^{[1
]}

机构：

[1] Delft Univ Technol, Interfac Reactor Inst, Radiat Technol Grp, NL-2629 JB Delft, Netherlands

来源：

NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT | 2002年 / 486卷 / 1-2期

关键词：

centroid shift; Ce3+ levels; HF-LCAO; coupled cluster;

D O I：

10.1016/S0168-9002(02)00741-6

中图分类号：

TH7 [仪器、仪表];

学科分类号：

0804 ; 080401 ; 081102 ;

摘要：

The centroid shifts of the 5d level of Ce3+ in BaF2, LaAlO3 and LaCl3 have been calculated using the ionic cluster approach. By applying configuration interaction as extension of the basic HF-LCAO approach the dynamical polarization contribution to the centroid shift was calculated. This was found to be only successful if basis sets are used optimized for polarization of the anions. (C) 2002 Elsevier Science B.V. All rights reserved.

引用

页码：399 / 402

页数：4

共 9 条

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