A calculation of the well depth for a pair of helium atoms |
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Authors: | Peter D. Dacre |
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Affiliation: | Department of Chemistry, University of Sheffield, Sheffield S3 7HF, UK |
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Abstract: | A new methods is proposed for the elimination of the basis superposition error in the calculation of small potentials. The method which involves CI is applied to the calculation of the well depth of He2. It includes interatomic and intraatomic correlation effects simultaneously. A value for the well depth of 10.54 K at R = 3.03 au is obtained, in excellent agreement with current theoretical estimates. |
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