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Comment on “Fe2
: As simple as a Herculean
labour. Neutral (Fe2
), cationic (Fe2+
), and anionic (Fe2−
) species” [J. Chem. Phys. 142
, 244304 (2015)]
3.G. Herzberg, Molecular Spectra and Molecular Structure. I. Spectra of Diatomic Molecules, 2nd ed. (D. Van Nostrand, Princeton, 1950).
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A recent paper on Fe2 [A. Kalemos, J. Chem. Phys. 142, 244304 (2015)] critiqued our previous work on the system [Hoyer et al., J. Chem. Phys. 141, 204309 (2014)]. In this comment, we explain the nature of our previously reported potential energy curve for Fe2 and we discuss our computed properties for Fe2. Additionally, we fix a labeling error that was present in our previous work, although this error is unrelated to the main point of discussion.
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