Ab initio calculation of the mobility of F-in helium
- 28 June 1987
- journal article
- Published by IOP Publishing in Journal of Physics B: Atomic and Molecular Physics
- Vol. 20 (12) , 2723-2731
- https://doi.org/10.1088/0022-3700/20/12/018
Abstract
The mobility of F- in helium has been calculated using the two-temperature theory of ion transport. The interaction potential required by this theory was calculated at the MP4SDQ/6-311+G(3df, 3pd) level of theory. In order for the theoretical results to fall within the experimental error of the corresponding experimental results, a high level of theory is required in the calculation of the interaction potential.Keywords
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