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Correction: The Li + CaF → Ca + LiF chemical reaction under cold conditions
Humberto
da Silva
Jr
a,
Qian
Yao
b,
Masato
Morita
c,
Brian K.
Kendrick
d,
Hua
Guo
*b and
Naduvalath
Balakrishnan
*a
aDepartment of Chemistry and Biochemistry, University of Nevada, Las Vegas, Nevada 89154, USA. E-mail: naduvala@unlv.nevada.edu
bDepartment of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, New Mexico 87131, USA. E-mail: hguo@unm.edu
cChemical Physics Theory Group, Department of Chemistry and Center for Quantum Information and Quantum Control, University of Toronto, Toronto, Ontario M5S 3H6, Canada
dTheoretical Division (T-1, MS B221), Los Alamos National Laboratory, Los Alamos, NM 87545, USA
First published on 10th July 2023
Abstract
Correction for ‘The Li + CaF → Ca + LiF chemical reaction under cold conditions’ by Humberto da Silva Jr et al., Phys. Chem. Chem. Phys., 2023, 25, 14193–14205, https://doi.org/10.1039/D3CP01464A.
The published version of this manuscript contains some errors in the subsection ‘2.1 Potential energy surface’. The corrections are listed as follows.
1. The sentence above eqn (4) should be rephrased as “The long-range part of the interaction potential between an atom and a diatomic molecule, VLR, in each arrangement is fitted with the following expression:”
2. Eqn (4) should read as
3. Eqn (5) should read as
| Vabc = sabcVs,abc + (1 − sabc)Vl,abc |
4. The sentence below eqn (5) should read as: “where Vs,abc is the short-range part of the total potential given in the form of eqn (1), Vl,abc is the long-range part of the total potential satisfying Vl,abc = VLR + V(2)ab in the ab + c arrangement channel, and the arrangement-dependent switching function, sabc, is defined as”
The Royal Society of Chemistry apologises for these errors and any consequent inconvenience to authors and readers.
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