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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
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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


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