dorsal/arxiv
View SchemaThe higher order C_n dispersion coefficients for the alkali atoms
| Authors | J. Mitroy, M. W. J. Bromley |
|---|---|
| Categories | |
| ArXiv ID | physics/0411174 |
| URL | https://arxiv.org/abs/physics/0411174 |
| DOI | 10.1103/PhysRevA.71.042701 |
| Journal | Phys.Rev.A 71 042701 (2005) |
Abstract
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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"abstract": "The van der Waals coefficients, from C_11 through to C_16 resulting from 2nd,\n3rd and 4th order perturbation theory are estimated for the alkali (Li, Na, K\nand Rb) atoms. The dispersion coefficients are also computed for all possible\ncombinations of the alkali atoms and hydrogen. The parameters are determined\nfrom sum-rules after diagonalizing the fixed core Hamiltonian in a large basis.\nComparisons of the radial dependence of the C_n/r^n potentials give guidance as\nto the radial regions in which the various higher-order terms can be neglected.\nIt is seen that including terms up to C_10/r^10 results in a dispersion\ninteraction that is accurate to better than 1 percent whenever the\ninter-nuclear spacing is larger than 20 a_0. This level of accuracy is mainly\nachieved due to the fortuitous cancellation between the repulsive (C_11, C_13,\nC_15) and attractive (C_12, C_14, C_16) dispersion forces.",
"arxiv_id": "physics/0411174",
"authors": [
"J. Mitroy",
"M. W. J. Bromley"
],
"categories": [
"physics.atom-ph",
"physics.chem-ph"
],
"doi": "10.1103/PhysRevA.71.042701",
"journal_ref": "Phys.Rev.A 71 042701 (2005)",
"title": "The higher order C_n dispersion coefficients for the alkali atoms",
"url": "https://arxiv.org/abs/physics/0411174"
},
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