The accurate numerical determination of two- and three-body dispersion forces
- 1 November 1973
- journal article
- Published by IOP Publishing in Journal of Physics B: Atomic and Molecular Physics
- Vol. 6 (11) , 2213-2219
- https://doi.org/10.1088/0022-3700/6/11/014
Abstract
A new computational method for the evaluation of dispersion coefficients between atoms is described. Results are given for the two-body coefficients through R-10 for a representative selection of one and two-electron atoms, the uncoupled Hartree approximation being employed in the latter case, and also the leading non-additive three-body terms are calculated for triplets of hydrogen and helium. Particular refined computations are described for atomic hydrogen, values of 6.499 026 705 and 21.642 464 54 au being obtained for the dipole-dipole and triple-dipole coefficients respectively.Keywords
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