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Phys. Rev. A 68, 052714 (2003) [16 pages]

Semiempirical calculation of van der Waals coefficients for alkali-metal and alkaline-earth-metal atoms

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J. Mitroy and M. W. J. Bromley*
Faculty of SITE, Charles Darwin University, Darwin NT 0909, Australia

See Also: Erratum

Received 15 May 2003; revised 28 July 2003; published 24 November 2003

The van der Waals coefficients, C6,C8, and C10 for the alkali-metal (Li, Na, K, and Rb) and alkaline-earth-metal (Be, Mg, Ca, and Sr) atoms are estimated by a combination of ab initio and semiempirical methods. Polarizabilities and atom-wall coefficients are given as a diagnostic check, and the lowest order nonadiabatic dispersion coefficient, D8 and the three-body coefficient, C9 are also presented. The dispersion coefficients are in agreement with the available relativistic many-body perturbation theory calculations. The contribution from the core was included by using constrained sum rules involving the core polarizability and Hartree-Fock expectation values to estimate the f-value distribution.

© 2003 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevA.68.052714
DOI:
10.1103/PhysRevA.68.052714
PACS:
34.20.Cf, 31.15.Pf, 31.25.Jf, 32.10.Dk

*Present address: Department of Physics, Kansas State University, Manhattan, KS 66506, USA; email address: bromley@phys.ksu.edu

See Also

Erratum: J. Mitroy and M. W. J. Bromley, Erratum: Semiempirical calculation of van der Waals coefficients and polarizabilities for the alkali-metal and alkaline-earth-metal atoms [Phys. Rev. A 68, 052714 (2003)], Phys. Rev. A 71, 019902 (2005).