Isotope Effects and Electronic Energy in Molecules
- 15 March 1962
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 36 (6) , 1490-1495
- https://doi.org/10.1063/1.1732768
Abstract
The definition of electronic energy in molecules is analyzed and, in its conventional form, it is shown to be in slight disagreement with experimental experience. By means of a proper treatment of the center‐of‐mass motion, a modified concept called reduced electronic energy is introduced and shown to give more satisfactory results. In particular, the hydrogen molecule and its isotopic analogues are used for a quantitative comparison of the two concepts with experimental results.Keywords
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