Luminescent Materials

Luminescent Materials

A Quantum Chemical Approach for Computer-Aided Discovery and Design

Joos, Jonas; Barandiaran, Zoila; Seijo, Luis

Springer Nature Switzerland AG

05/2022

372

Dura

Inglês

9783030949839

15 a 20 dias

758

Descrição não disponível.
Introduction.- Ab initio multiconfigurational embedded cluster methods for luminescent materials.-Tutorial: Performing ab initio calculations on complex manifolds of excited states of lanthanides in solids.- Excited state manifolds of luminescent materials.- Fundamental studies on luminescence.- Many-electron state energy diagrams of activators in hosts.- Prospect: Towards computational design of luminescent materials.
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Ab Initio Calculations;Luminescence Phosphors;Excited States in Lanthanide Materials;Electronic Structure of Lanthanide Dopants;Energy Level Modeling of Optical Activators;Configuration Coordinate Diagrams in Luminescence;Solid-State Lighting;Exited State Manifolds;Embedded Cluster Methods