Interaction of a Triplet and a Normal Helium Atom
- 1 March 1961
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 34 (3) , 958-960
- https://doi.org/10.1063/1.1731699
Abstract
The electronic energy of the system He(1S) and He(3S) was calculated as a function of nuclear separation. This calculation differs from an earlier one by R. A. Buckingham and A. Dalgarno [Proc. Roy. Soc. (London) A213, 327 (1952)] in three ways: (1) the use of a nodeless 2s function, (2) the use of an open‐configuration wavefunction (1s1s′) for He(1S) and (3) the use of orbital exponents optimized for each internuclear distance. The energy obtained lies approximately one volt below the earlier calculation but confirms it in all qualitative aspects including the presence of a ``hump'' at R≅4a0.Keywords
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