Please use this identifier to cite or link to this item: http://hdl.handle.net/10397/5264
PIRA download icon_1.1View/Download Full Text
Title: Spectroscopy of Na⁺.Rg and transport coefficients of Na⁺ in Rg(Rg=He ―Rn)
Authors: Viehland, LA
Lozeille, J
Soldán, P
Lee, EPF
Wright, TG
Issue Date: 15-Aug-2003
Source: Journal of chemical physics, 15 Aug. 2003, v. 119, no. 7, p. 3729-3736
Abstract: High-level ab initio calculations are used to obtain accurate potential energy curves for Na⁺.Kr, Na⁺.Xe, and Na⁺.Rn. These data are used to calculate spectroscopic parameters for these three species, and the data for the whole Na⁺.Rg series (Rg=He ―Rn) are compared. Potentials for the whole series are then used to calculate both mobilities and diffusion coefficients for Na⁺ moving through a bath of each of the six rare gases, under conditions that match previous experimental determinations. Different available potentials and experimental data are then statistically compared. It is concluded that the present potentials are very accurate. The potential and other data for Na⁺.Rn appear to be the first such reported.
Keywords: Ab initio calculations
Potential energy surfaces
Diffusion
Positive ions
Ion mobility
Coupled cluster calculations
Potential energy functions
Sodium compounds
Sodium
Inert gas
Inert gas compounds,
Rotational-vibrational states
Publisher: American Institute of Physics
Journal: Journal of chemical physics 
ISSN: 0021-9606
EISSN: 1089-7690
DOI: 10.1063/1.1591171
Rights: © 2003 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in L. A. Viehland et al., J. Chem. Phys. 119, 3729 (2003) and may be found at http://link.aip.org/link/?jcp/119/3729.
Appears in Collections:Journal/Magazine Article

Files in This Item:
File Description SizeFormat 
Viehland_Spectroscopy_Na_transport.pdf698.82 kBAdobe PDFView/Open
Open Access Information
Status open access
File Version Version of Record
Access
View full-text via PolyU eLinks SFX Query
Show full item record

Page views

58
Last Week
0
Last month
Citations as of May 22, 2022

Downloads

118
Citations as of May 22, 2022

SCOPUSTM   
Citations

45
Last Week
0
Last month
0
Citations as of May 27, 2022

WEB OF SCIENCETM
Citations

44
Last Week
0
Last month
0
Citations as of May 26, 2022

Google ScholarTM

Check

Altmetric


Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.