A calculation of the electron affinity of the lithium molecule
- 1 June 1976
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 64 (11), 4548-4550
- https://doi.org/10.1063/1.432086
Abstract
Using the equation‐of‐motion method, an electron affinity of 0.90 eV was computed for the Li2 molecule. This value is larger than the results of other calculations and is also larger than the experimental electron affinity of the lithium atom. A prediction of the stable ground state for Li−2 is a result of our calculation. Using some experimental data and the calculated Li2 electron affinity within a Born–Haber cycle, an approximate dissociation energy of Li−2 can be obtained. SCF‐level potential energy curves have been calculated for Li2 and Li−2 as well as spectroscopic constants which give qualitatively good agreement with available experiment results. A comparison between properties of Li−2 and Li+2 is also discussed.Keywords
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