The higher order C_n dispersion coefficients for the alkali atoms

Details The higher order C_n dispersion coefficients for the alkali atoms The higher order C_n dispersion coefficients for the alkali atoms

2004-11-19

arxiv.org/abs/physics/0411174v1

Phys.Rev.A 71 042701 (2005)

Physics

Atomic Physics

8 pages, 7 figures

Scientific paper

10.1103/PhysRevA.71.042701

The van der Waals coefficients, from C_11 through to C_16 resulting from 2nd, 3rd and 4th order perturbation theory are estimated for the alkali (Li, Na, K and Rb) atoms. The dispersion coefficients are also computed for all possible combinations of the alkali atoms and hydrogen. The parameters are determined from sum-rules after diagonalizing the fixed core Hamiltonian in a large basis. Comparisons of the radial dependence of the C_n/r^n potentials give guidance as to the radial regions in which the various higher-order terms can be neglected. It is seen that including terms up to C_10/r^10 results in a dispersion interaction that is accurate to better than 1 percent whenever the inter-nuclear spacing is larger than 20 a_0. This level of accuracy is mainly achieved due to the fortuitous cancellation between the repulsive (C_11, C_13, C_15) and attractive (C_12, C_14, C_16) dispersion forces.

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