Publication: Polarizabilities of Sc and Ti atoms and dispersion coefficients for their interaction with helium atoms
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Date
2005
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American Physical Society (APS)
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Chu, Xi, Alexander Dalgarno, and Gerrit C. Groenenboom. 2005. “Polarizabilities of Sc and Ti Atoms and Dispersion Coefficients for Their Interaction with Helium Atoms.” Physical Review A 72 (3) (September 7). doi:10.1103/physreva.72.032703.
Abstract
The dynamic scalar and tensor polarizabilities of Sc and Ti are computed with time-dependent density functional theory. These polarizabilities are used to compute the isotropic and anisotropic dispersion interactions in ScHe and TiHe. We find C6,0(ScHe)=30.00 , C6,2(ScHe)=-1.63 , C6,0(TiHe)=28.40 , and C6,2(TiHe)=-0.90 (Eha06) . We show that an estimate of the dispersion anisotropy based on static polarizabilities results in an overestimation by a factor of 2.
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