On exchange-repulsion non-additivity in the interaction of three argon atoms |
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| Authors: | Marek Bulski Grzegorz Chaa̵siński |
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| Institution: | Theoretical Chemistry Group, University of Ultrecht, Padualaan 8, De Uīthof-Utrecht, The Netherlands |
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| Abstract: | The non-additive contribution to the exchange repulsion for the argon trimer in the equilateral-triangle configuration has been calculated in the first order of symmetry-adapted perturbation theory. Approximation of the non-additivity by the interaction of outer-shell electron is as efficient as for Ne3. The role of higher-order contributions to the non-additivity is discussed. |
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