English   español  
Please use this identifier to cite or link to this item: http://hdl.handle.net/10261/98132
logo share SHARE logo core CORE   Add this article to your Mendeley library MendeleyBASE

Visualizar otros formatos: MARC | Dublin Core | RDF | ORE | MODS | METS | DIDL | DATACITE
Exportar a otros formatos:


Calculation of the optical spectrum of the Ti8C12 and V8C12 Met-Cars

AuthorsMartínez, José I. CSIC ORCID; Castro, Alberto; Rubio, Angel; Poblet, J. M.; Alonso, J. A. CSIC ORCID
Issue DateNov-2004
CitationChemical Physics Letters 398(4-6): 292-296 (2004)
AbstractThe optical absorption spectrum of the Ti8C12 and V8C12 Met-Cars is calculated using time-dependent density functional theory within a real-space, real-time scheme. Other ground-state quantities are also calculated, such as the ionization potential and the electronic affinity. The broad absorption features of the calculated absorption spectrum are related to experimental results about delayed ionization and delayed ion emission phenomena that have been observed in these structures.
Publisher version (URL)http://dx.doi.org/10.1016/j.cplett.2004.09.058
Appears in Collections:(CFM) Artículos
Files in This Item:
File Description SizeFormat 
accesoRestringido.pdf15,38 kBAdobe PDFThumbnail
Show full item record
Review this work

Related articles:

WARNING: Items in Digital.CSIC are protected by copyright, with all rights reserved, unless otherwise indicated.