It has always been a spectroscopist’s dream to correlate a material’s luminescence properties with its microscopic structure,based on reliable structure–property relationships.Electronic structure methods are promi...It has always been a spectroscopist’s dream to correlate a material’s luminescence properties with its microscopic structure,based on reliable structure–property relationships.Electronic structure methods are promising to achieve this goal;yet they are especially challenging in the case of Eu-based materials which are known to feature exceptionally high density of excited states,large spins and severe electron correlation.展开更多
基金the UGent Special Research Fund(BOF/PDO/2017/002101)the Fund for Scientific Research-Flanders(FWO)for a travel grant(V416818N)This work was partially supported by Ministerio de Economía y Competitividad,Spain(Dirección General de Investigación y Gestión del Plan Nacional de I+D+i,MAT2017-83553-P).
文摘It has always been a spectroscopist’s dream to correlate a material’s luminescence properties with its microscopic structure,based on reliable structure–property relationships.Electronic structure methods are promising to achieve this goal;yet they are especially challenging in the case of Eu-based materials which are known to feature exceptionally high density of excited states,large spins and severe electron correlation.
