Polarizabilities of Sc and Ti atoms and dispersion coefficients for their interaction with helium atoms

Xi Chu, Alexander Dalgarno, Gerrit C. Groenenboom

Research output: Contribution to journalArticlepeer-review

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.

Original languageEnglish
Article number032703
JournalPhysical Review A - Atomic, Molecular, and Optical Physics
Volume72
Issue number3
DOIs
StatePublished - Sep 2005

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