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

Mitroy, Jim and Bromley, Michael W. J. (2003). Semiempirical calculation of van der Waals coefficients for alkali-metal and alkaline-earth-metal atoms. Physical Review A (Atomic, Molecular and Optical Physics),68(5):052714-1-052714-16.

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Title Semiempirical calculation of van der Waals coefficients for alkali-metal and alkaline-earth-metal atoms
Author Mitroy, Jim
Bromley, Michael W. J.
Journal Name Physical Review A (Atomic, Molecular and Optical Physics)
Publication Date 2003
Volume Number 68
Issue Number 5
ISSN 1094-1622   (check CDU catalogue open catalogue search in new window)
Start Page 052714-1
End Page 052714-16
Total Pages 16
Place of Publication College Park, United States
Publisher American Physical Society
Field of Research 0202 - Atomic, Molecular, Nuclear, Particle and Plasma Physics
0204 - Condensed Matter Physics
0205 - Optical Physics
HERDC Category C1 - Journal Article (DEST)
Abstract The van der Waals coefficients, C-6, C-8, and C-10 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, D-8 and the three-body coefficient, C-9 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.
Keywords perturbation-theory calculation
3-body dispersion coefficients
static dipole polarizabilities
electron-impact excitation
long-range interactions
many-body calculations
isoelectronic-sequences
sum-rules
oscillator-strengths
resonance transition
DOI http://dx.doi.org/10.1103/PhysRevA.68.052714   (check subscription with CDU E-Gateway service for CDU Staff and Students  check subscription with CDU E-Gateway in new window)
Additional Notes Copyright by the The American Physical Society


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