Orbitally correlated crystal field parametrization for lanthanide ions
YY Yeung, DJ Newman - The Journal of chemical physics, 1987 - pubs.aip.org
In the conventional parametric fits on the lanthanide energy levels, 1 there are many
significant deviations between observed and calculated crystal field energy levels. It is
therefore desirable to employ a correlation crystalfield (twoelectron) parametrization2 as
well as the conventional (oneelectron) lanthanide crystal field parametrization. As pointed
out by Hessler and Camall, 3 it is necessary to devise some physical assumptions or models
in order to reduce the tremendous number of free parameters necessary for a full description …
significant deviations between observed and calculated crystal field energy levels. It is
therefore desirable to employ a correlation crystalfield (twoelectron) parametrization2 as
well as the conventional (oneelectron) lanthanide crystal field parametrization. As pointed
out by Hessler and Camall, 3 it is necessary to devise some physical assumptions or models
in order to reduce the tremendous number of free parameters necessary for a full description …
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