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Multipole polarizabilities and long-range interactions of the fluorine atom

Zatsarinny, O., Bartschat, K., Mitroy, Jim and Zhang, Jun-Yi (2009). Multipole polarizabilities and long-range interactions of the fluorine atom. Journal of Chemical Physics,130(12):1-6.

Document type: Journal Article

IRMA ID 80791673xPUB53
Title Multipole polarizabilities and long-range interactions of the fluorine atom
Author Zatsarinny, O.
Bartschat, K.
Mitroy, Jim
Zhang, Jun-Yi
Journal Name Journal of Chemical Physics
Publication Date 2009
Volume Number 130
Issue Number 12
ISSN 0021-9606   (check CDU catalogue open catalogue search in new window)
Scopus ID 2-s2.0-63649096553
Start Page 1
End Page 6
Total Pages 6
Place of Publication US
Publisher American Institute of Physics
HERDC Category C1 - Journal Article (DEST)
Abstract The polarizabilities of the ground state of fluorine are determined by the box-based B-spline configuration-interaction method. The ground-state static and tensor polarizabilities are calculated as αd = 3.49a03 and α2 = 0.303a03, respectively. The resulting excitation matrix elements are employed to compute the interatomic dispersion interactions for the HF and F2 molecules.
DOI http://dx.doi.org/10.1063/1.3098320   (check subscription with CDU E-Gateway service for CDU Staff and Students  check subscription with CDU E-Gateway in new window)
 
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Created: Fri, 19 Mar 2010, 14:44:52 CST by Sarena Wegener