Non-empirical Prediction of the Photophysical and Magnetic Properties of Systems with Open d- and f-Shells Based on Combined Ligand Field and Density Functional Theory (LFDFT)

CHIMIA

Claude Daul¹ 

[1] Computational Chemistry Lab, University of Fribourg, Switzerland. [e-mail];

关键词: Density functional theory;    Ligand field theory;    Phosphors;    Single ion magnets;    Warm-white light;   

DOI  :  10.2533/chimia.2014.633

来源: DOAJ

【 授权许可】

Unknown