Home News About Us Contact Contributors Disclaimer Privacy Policy Help FAQ

Home
Search
Quick Search
Advanced
Fulltext
Browse
Collections
Persons
My eDoc
Session History
Login
Name:
Password:
Documentation
Help
Support Wiki
Direct access to
document ID:


          Institute: MPI für Dynamik und Selbstorganisation     Collection: Hydrodynamik und Strukturbildung     Display Documents



ID: 307678.0, MPI für Dynamik und Selbstorganisation / Hydrodynamik und Strukturbildung
Energies and spatial features for the rotationless bound states of 4He3+ (2Σg+): A cationic core from helium cluster ionization
Authors:Scifoni, E.; Gianturco, F. A.; Grebenshchikov, S. Y.; Schinke, R.
Language:English
Date of Publication (YYYY-MM-DD):2006-10-28
Title of Journal:The Journal of Chemical Physics
Journal Abbrev.:J. Chem. Phys.
Volume:125
Start Page:164304-1
End Page:164304-9
Review Status:Peer-review
Audience:Experts Only
Abstract / Description:Ab initio quantum calculations have been carried out on the helium ionic trimer. The potential energy surface is accurately fitted, especially in the vicinity of the three equivalent minima. The spectrum of bound states for the zero angular momentum is computed and analyzed in detail. Energies and wave functions reveal several interesting features related to the fact that He3+ represents one of the few homonuclear ionic trimers that are linear in their ground vibrational state. At low energies, the triply degenerate eigenfunctions are localized at the potential minimum. With growing excitation energy, however, the wave functions exhibit stronger spatial delocalization.
Free Keywords:helium ions; positive ions; atomic clusters; ionisation; ab initio calculations; potential energy surfaces; ground states; vibrational states; molecular configurations; wave functions; bound states
External Publication Status:published
Document Type:Article
Communicated by:Folkert Müller-Hoissen
Affiliations:MPI für Dynamik und Selbstorganisation/Hydrodynamik und Strukturbildung
External Affiliations:Department of Chemistry, University of Rome La Sapienza, Piazzale A. Moro 5, I-00185 Rome, Italy and CNISM, University of Rome La Sapienza, Piazzale A. Moro 5, I-00185 Rome, Italy
Identifiers:DOI:10.1063/1.2358986
The scope and number of records on eDoc is subject to the collection policies defined by each institute - see "info" button in the collection browse view.