Multipole polarizabilities and long-range interactions of the fluorine atom.
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 alpha(d) = 3.49a(0)(3) and alpha(2) = 0.303a(0)(3), respectively. The resulting excitation matrix elements are employed to compute the interatomic dispersion interactions for the HF and F(2) molecules.
Zatsarinny
O
O
Department of Physics, Drake University, Des Moines, Iowa, USA. oleg_zoi@yahoo.com
Bartschat
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K
Mitroy
J
J
Zhang
J-Y
JY