Dynamic polarizabilities of rare-earth-metal atoms and dispersion coefficients for their interaction with helium atoms
Author(s) -
Xi Chu,
A. Dalgarno,
Gerrit C. Groenenboom
Publication year - 2007
Publication title -
physical review a
Language(s) - English
Resource type - Journals
eISSN - 1094-1622
pISSN - 1050-2947
DOI - 10.1103/physreva.75.032723
Subject(s) - van der waals force , physics , helium , atomic physics , polarizability , van der waals radius , isotropy , density functional theory , scalar (mathematics) , molecule , quantum mechanics , geometry , mathematics
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 EHa0 6 and the orientation-dependent coefficients between 2 and 1 EHa0 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.
Accelerating Research
Robert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom
Address
John Eccles HouseRobert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom