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Advances in atomic, molecular, and optical physics

Polarizabilities of 3P Atoms and van der Waals Coefficients for Their Interaction with Helium Atoms

Xi Chu, A. Dalgarno

Published Jan 1, 2005• 3 citations
Publisher
DOI
10.1016/s1049-250x(05)51014-0

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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 EHa06{E}_{H}{a}_{0}^{6}EH​a06​ and the orientation-dependent coefficients between 2 and $\ensuremath{-}1$ EHa06{E}_{H}{a}_{0}^{6}EH​a06​. 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.
The scalar and tensor dynamic polarizabilities of the first excited 2P1∕2,3∕2^{2}P_{1∕2,3∕2}2P1∕2,3∕2​ states of the alkali-metal atoms Na\mathrm{Na}Na, K\mathrm{K}K, and Rb\mathrm{Rb}Rb are calculated using relativistic many-body perturbation theory. Comparison with experimental measurements of the static polarizabilities suggests that the errors in the theoretical predictions do not exceed 1%. The dynamic polarizabilities at imaginary frequencies are employed to calculate the long-range van der Waals coefficients for the interaction of ground-state helium atoms with the excited alkali-metal atoms to a probable error of less than 2%.