English   español  
Please use this identifier to cite or link to this item: http://hdl.handle.net/10261/80954
Share/Impact:
Statistics
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:

Title

An adiabatic model for rare gas-halogen van der Waals complexes: Application to HeBr2(B)

AuthorsGonzález-Lezana, Tomás ; Hernández, Marta I. ; Delgado Barrio, Gerardo ; Villarreal, Pablo
Issue Date1998
PublisherElsevier
CitationJournal of Molecular Structure: THEOCHEM 433: 107- 111 (1998)
AbstractAn adiabatic approach to compute quasibound states of rare gas-halogen van der Waals molecules is presented where the interhalogen vibrational coordinate is considered as the 'slow' mode (i.e. it takes the place of the nuclear coordinates in the traditional Born-Oppenheimer separation). Although it might not seem intuitive (as far as the halogen vibrational motion is not slower than the intermolecular one), it is shown that a satisfactory (zero order) picture is provided for those states where the halogen subunit is near dissociation. The method is applied to HeBr2 (B,ν), for which experimental data at very high ν are available. Results are discussed in light of comparisons with 'exact' close-coupling calculations. © 1998 Published by Elsevier Science B.V. All rights reserved.
URIhttp://hdl.handle.net/10261/80954
DOI10.1016/S0166-1280(98)00016-5
Identifiersdoi: 10.1016/S0166-1280(98)00016-5
issn: 0166-1280
Appears in Collections:(CFMAC-IFF) Artículos
Files in This Item:
File Description SizeFormat 
accesoRestringido.pdf15,38 kBAdobe PDFThumbnail
View/Open
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.