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

Abstract

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{sub H}a{sub 0}{sup 6} and the orientation-dependent coefficients between 2 and -1 E{sub H}a{sub 0}{sup 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.

Authors:
; ;  [1];  [2];  [3]
  1. Department of Chemistry, University of Montana, Missoula, Montana 59812 (United States)
  2. (United States)
  3. (Netherlands)
Publication Date:
OSTI Identifier:
20982343
Resource Type:
Journal Article
Resource Relation:
Journal Name: Physical Review. A; Journal Volume: 75; Journal Issue: 3; Other Information: DOI: 10.1103/PhysRevA.75.032723; (c) 2007 The American Physical Society; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
74 ATOMIC AND MOLECULAR PHYSICS; ATOM-ATOM COLLISIONS; ATOMS; COOLING; CROSS SECTIONS; DENSITY FUNCTIONAL METHOD; FREQUENCY DEPENDENCE; HELIUM; INELASTIC SCATTERING; INTERACTIONS; POLARIZABILITY; RARE EARTHS; TIME DEPENDENCE; TRAPPING; VAN DER WAALS FORCES

Citation Formats

Chu, Xi, Dalgarno, Alexander, Groenenboom, Gerrit C., ITAMP, Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, Massachusetts 02138, and Theoretical Chemistry, Institute for Molecules and Materials, Radboud University Nijmegen, Toernooiveld 1, 6525ED, Nijmegen. Dynamic polarizabilities of rare-earth-metal atoms and dispersion coefficients for their interaction with helium atoms. United States: N. p., 2007. Web. doi:10.1103/PHYSREVA.75.032723.
Chu, Xi, Dalgarno, Alexander, Groenenboom, Gerrit C., ITAMP, Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, Massachusetts 02138, & Theoretical Chemistry, Institute for Molecules and Materials, Radboud University Nijmegen, Toernooiveld 1, 6525ED, Nijmegen. Dynamic polarizabilities of rare-earth-metal atoms and dispersion coefficients for their interaction with helium atoms. United States. doi:10.1103/PHYSREVA.75.032723.
Chu, Xi, Dalgarno, Alexander, Groenenboom, Gerrit C., ITAMP, Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, Massachusetts 02138, and Theoretical Chemistry, Institute for Molecules and Materials, Radboud University Nijmegen, Toernooiveld 1, 6525ED, Nijmegen. Thu . "Dynamic polarizabilities of rare-earth-metal atoms and dispersion coefficients for their interaction with helium atoms". United States. doi:10.1103/PHYSREVA.75.032723.
@article{osti_20982343,
title = {Dynamic polarizabilities of rare-earth-metal atoms and dispersion coefficients for their interaction with helium atoms},
author = {Chu, Xi and Dalgarno, Alexander and Groenenboom, Gerrit C. and ITAMP, Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, Massachusetts 02138 and Theoretical Chemistry, Institute for Molecules and Materials, Radboud University Nijmegen, Toernooiveld 1, 6525ED, Nijmegen},
abstractNote = {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{sub H}a{sub 0}{sup 6} and the orientation-dependent coefficients between 2 and -1 E{sub H}a{sub 0}{sup 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.},
doi = {10.1103/PHYSREVA.75.032723},
journal = {Physical Review. A},
number = 3,
volume = 75,
place = {United States},
year = {Thu Mar 15 00:00:00 EDT 2007},
month = {Thu Mar 15 00:00:00 EDT 2007}
}