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

被引：23

作者：

Chu, X

Dalgarno, A

Groenenboom, GC

机构：

[1] ITAMP, Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA

[2] Univ Nijmegen, Inst Theoret Chem, NL-6525 ED Nijmegen, Netherlands

来源：

PHYSICAL REVIEW A | 2005年 / 72卷 / 03期

关键词：

D O I：

10.1103/PhysRevA.72.032703

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

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 C-6,C-0(ScHe)=30.00, C-6,C-2(ScHe)=-1.63, C-6,C-0(TiHe)=28.40, and C-6,C-2(TiHe)=-0.90 (E(h)a(0)(6)). 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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页数：5

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