Parametrisation of crystal induced correlation between f-electrons

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Abstract
Judd (J. Chem. Phys., vol.66, p.3163 (1977)) has emphasised the importance of finding physically justifiable ways to reduce the number of f-electron correlation crystal field parameters significantly below the number required according to simple phenomenological considerations. It is shown that the physical assumptions underlying existing simplified parametrisations are questionable. Two new series of simplified parametrisation schemes are defined and discussed, each of which is based on clearly stated physical assumptions. These allow a realistic choice of phenomenological parametrisation to be made, appropriate to the quality of the available experimental data.

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