Charles Darwin University

CDU eSpace
Institutional Repository

 
CDU Staff and Student only
 

Long-range dispersion coefficients for Li, Li+, and Be+ interacting with the rare gases

Tang, Li-Yan, Zhang, Jun-YI, Yan, Zong-Chao, Shi, Ting-Yun and Mitroy, Jim (2010). Long-range dispersion coefficients for Li, Li+, and Be+ interacting with the rare gases. Journal of Chemical Physics,133(10):2-11.

Document type: Journal Article
Attached Files (Some files may be inaccessible until you login with your CDU eSpace credentials)
Name Description MIMEType Size Downloads
Download this reading Tang_9917.pdf Published version application/pdf 449.53KB 172
Reading the attached file works best in Firefox, Chrome and IE 9 or later.

IRMA ID 81704288xPUB122
Title Long-range dispersion coefficients for Li, Li+, and Be+ interacting with the rare gases
Author Tang, Li-Yan
Zhang, Jun-YI
Yan, Zong-Chao
Shi, Ting-Yun
Mitroy, Jim
Journal Name Journal of Chemical Physics
Publication Date 2010
Volume Number 133
Issue Number 10
ISSN 0021-9606   (check CDU catalogue open catalogue search in new window)
Scopus ID 2-s2.0-77956942024
Start Page 2
End Page 11
Total Pages 10
Place of Publication United States
Publisher American Institute of Physics
HERDC Category C1 - Journal Article (DEST)
Abstract The long-range dispersion coefficients for the ground and excited states of Li, Li+, and Be+ interacting with the He, Ne, Ar, Kr, and Xe atoms in their ground states are determined. The variational Hylleraas method is used to determine the necessary lists of multipole matrix elements for He, Li, Li+, and Be+, while pseudo-oscillator strength distributions are used for the heavier rare gases. Some single electron calculations using a semiempirical Hamiltonian are also performed for Li and Be+ and found to give dispersion coefficients in good agreement with the Hylleraas calculations. Polarizabilities are given for some of the Li and Li+ states and the recommended 7Li+ polarizability including both finite-mass and relativistic effects was 0.192 486 a.u. The impact of finite-mass effects upon the dispersion coefficients has been given for some selected interatomic interactions.
DOI http://dx.doi.org/10.1063/1.3478984   (check subscription with CDU E-Gateway service for CDU Staff and Students  check subscription with CDU E-Gateway in new window)
Additional Notes Copyright by the American Institute of Physics


© copyright

Every reasonable effort has been made to ensure that permission has been obtained for items included in CDU eSpace. If you believe that your rights have been infringed by this repository, please contact digitisation@cdu.edu.au.

 
Versions
Version Filter Type
Access Statistics: 125 Abstract Views, 172 File Downloads  -  Detailed Statistics
Created: Tue, 28 Feb 2012, 23:50:15 CST