English   español  
Please use this identifier to cite or link to this item: http://hdl.handle.net/10261/94963
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
Exportar a otros formatos:


Stark ionization of atoms and molecules within density functional resonance theory

AuthorsLarsen, Ask Hjorth; Giovannini, Umberto de; Whitenack, Daniel L.; Wasserman, Adam; Rubio, Angel
KeywordsOpen quantum systems
Complex scaling
Issue Date2013
PublisherAmerican Chemical Society
CitationJournal of Physical Chemistry Letters 4(16): 2734-2738 (2013)
AbstractWe show that the energetics and lifetimes of resonances of finite systems under an external electric field can be captured by Kohn–Sham density functional theory (DFT) within the formalism of uniform complex scaling. Properties of resonances are calculated self-consistently in terms of complex densities, potentials, and wave functions using adapted versions of the known algorithms from DFT. We illustrate this new formalism by calculating ionization rates using the complex-scaled local density approximation and exact exchange. We consider a variety of atoms (H, He, Li, and Be) as well as the H2 molecule. Extensions are briefly discussed.
Publisher version (URL)http://dx.doi.org/10.1021/jz401110h
Identifiersdoi: 10.1021/jz401110h
e-issn: 1948-7185
Appears in Collections:(CFM) Artículos
Files in This Item:
File Description SizeFormat 
Stark Ionization.pdf537,22 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.