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Accurate relativistic many-body calculations of van der Waals coefficients C8 and C10 for alkali-metal dimers

J. Chem. Phys. 119, 844 (2003); doi:10.1063/1.1578052

Issue Date: 8 July 2003

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Sergey G. Porsev and Andrei Derevianko
Physics Department, University of Nevada, Reno, Nevada 89557-0058
We consider long-range interactions between two alkali-metal atoms in their respective ground states. We extend the previous relativistic many-body calculations of C6 dispersion coefficients [Phys. Rev. Lett. 82, 3589 (1999)] to higher-multipole coefficients C8 and C10. Special attention is paid to usually omitted contribution of core-excited states. We calculate this contribution within relativistic random-phase approximation and demonstrate that for heavy atoms core excitations contribute as much as 10% to the dispersion coefficients. We tabulate results for both homonuclear and heteronuclear dimers and estimate theoretical uncertainties. The estimated uncertainties for C8 coefficients range from 0.5% for Li2 to 4% for Cs2. ©2003 American Institute of Physics.
History: Received 13 March 2003; accepted 7 April 2003
Permalink: http://link.aip.org/link/?JCPSA6/119/844/1
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KEYWORDS and PACS

Keywords
PACS
  • 31.30.Jv
    Relativistic and quantum electrodynamic effects in atoms and molecules
  • 34.20.Cf
    Interatomic potentials and forces
  • YEAR: 2003

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ISSN:
0021-9606 (print)   1089-7690 (online)
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