Dynamic polarizabilities of rare-earth-metal atoms and dispersion coefficients for their interaction with helium atoms

被引:41
作者
Chu, Xi [1 ]
Dalgarno, Alexander
Groenenboom, Gerrit C.
机构
[1] Univ Montana, Dept Chem, Missoula, MT 59812 USA
[2] Harvard Smithsonian Ctr Astrophys, ITAMP, Cambridge, MA 02138 USA
[3] Radboud Univ Nijmegen, Inst Mol & Mat, NL-6525 ED Nijmegen, Netherlands
来源
PHYSICAL REVIEW A | 2007年 / 75卷 / 03期
基金
美国国家科学基金会;
关键词
D O I
10.1103/PhysRevA.75.032723
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
The dynamic scalar and tensor polarizabilities of the rare-earth-metal atoms are calculated with time-dependent density functional theory. The frequency-dependent polarizabilities at imaginary frequencies are used to determine the isotropic and orientation-dependent van der Waals coefficients for the interactions of the rare-earth-metal atoms with helium atoms. The static polarizabilities are compared with other theoretical values and with experimental results. The agreement is satisfactory in most cases but there are some exceptions where the discrepancy between theory and experiment is significant. The derived isotropic van der Waals coefficients range between 37 and 50 E(H)a(0)(6) and the orientation-dependent coefficients between 2 and -1 E(H)a(0)(6). Thus the ratio of elastic to inelastic scattering cross sections is expected to be substantial and any one of the rare-earth-metal atoms is an excellent candidate for trapping and cooling in a He gas.
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页数:4
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