Ítem
| Seijo, Luis | |
| 7 juliol 2010 | |
| Electronic excited states of f-elements (lanthanides and actinides) in solids are involved in many advanced technologies ranging from solid-state lighting (SSL) to advanced nuclear energy systems (ANES). Their characteristics from the point of view of first-principles calculations and their computational demands are discussed in this presentation. Some wave function based applications (two-step CASSCF/CASPT2 + spin-orbit CI embedded-cluster calculations) are shown in materials like Ce-doped YAG, Yb-doped CsCaBr3, and U-doped Cs2NaYCl6, aimed at illustrating complexities of the computational problems and potentialities of first-principles calculations, and to introduce next future computational challenges implied by these types of manifolds of excited states | |
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video/H263 audio/mpeg |
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| Seijo, L. (2010). Electronic excited states of F-elements in solids. A ’IX Girona Seminar’. Girona: Universitat. [Consulta 6 setembre 2010]. Disponible a: http://hdl.handle.net/10256.1/1723 | |
| http://hdl.handle.net/10256.1/1723 | |
| eng | |
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Universitat de Girona. Departament de Química Universitat de Girona. Institut de Química Computacional |
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| IX Girona Seminar | |
| Aquest document està subjecte a una llicència Creative Commons: Reconeixement - No comercial - Compartir igual (by-nc-sa) | |
| http://creativecommons.org/licenses/by-nc-sa/3.0/es/deed.ca | |
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Química quàntica -- Congressos
Quantum chemistry -- Congresses |
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| Electronic excited states of F-elements in solids | |
| info:eu-repo/semantics/lecture | |
| DUGiMedia |
