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首页> 外文期刊>Journal of Alloys and Compounds: An Interdisciplinary Journal of Materials Science and Solid-state Chemistry and Physics >Effective operators and spectroscopic properties
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Effective operators and spectroscopic properties

机译：有效的算子和光谱性质

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摘要

In 1968, Wyboume~1 [J. Chem. Phys. 48 (1968) 2596] asked two major questions while pointing out that a few years earlier, "Judd and Ofelt considered only second-order contributions to the oscillator strength: 1. Are the higher-order contributions significant? 2. What new angular-dependent terms enter when the higher-order contributions are considered?" In the present paper, the answers to these questions are discussed in the form of a report woven onto the background of Wybourne' s publication. The very last sentence of his paper might be taken as an obligation and also as a source of inspiration for all of us who have been trying to describe the properties of rare earth ions over the years. Indeed, he remarks: "At this state (1968) there would seem to be little point in extending calculations to higher orders until actual numerical estimates of the relative importance of the second- and third-order contributions are established." In this context, the present analysis is performed up to the third-order terms, and the new effective operators are discussed. In addition, to fulfill the demand for "actual numerical estimates", the results of ab initio calculations are presented to illustrate the hierarchy of important physical mechanisms that contribute to the f< - > f transition amplitude.
机译：1968年，Wyboume〜1 [J.化学物理48（1968）2596]问了两个主要问题，同时指出几年前，“贾德和奥菲尔特只考虑了对振子强度的二阶贡献：1.高阶贡献显着吗？2.什么是新的角度角当考虑更高阶的贡献时，将输入从属术语？”在本文中，以Wybourne出版物的背景为背景编成的报告的形式讨论了这些问题的答案。对于多年来一直试图描述稀土离子特性的我们所有人来说，他论文的最后一句话可能被视为一种义务，也可以作为灵感的来源。实际上，他指出：“在这种状态下（1968年），在确定二阶和三阶贡献的相对重要性的实际数值估计之前，将计算扩展到高阶似乎没有什么意义。”在这种情况下，本分析最多执行三阶项，并讨论了新的有效算子。另外，为了满足对“实际数值估计”的需求，提出了从头算的结果，以说明对f-f跃迁幅度有贡献的重要物理机制的层次结构。

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