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Correction: Quantum and semiclassical studies of nonadiabatic electronic transitions between N(4S) and N(2D) by collisions with N2
Dandan
Lu
a,
Breno R. L.
Galvão
b,
Antonio J. C.
Varandas
cd and
Hua
Guo
*a
aDepartment of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, 87131, New Mexico, USA. E-mail: hguo@unm.edu
bCentro Federal de Educação Tecnológica de Minas Gerais, CEFET-MG, Av. Amazonas 5253, (30421-169), Belo Horizonte, Minas Gerais, Brazil
cDepartamento de Física, Universidade Federal do Espírito Santo, Vitória, Brazil
dCoimbra Chemistry Centre and Chemistry Department, University of Coimbra, Coimbra, Portugal
First published on 16th April 2024
Abstract
Correction for ‘Quantum and semiclassical studies of nonadiabatic electronic transitions between N(4S) and N(2D) by collisions with N2’ by Dandan Lu et al., Phys. Chem. Chem. Phys., 2023, 25, 15656–15665, https://doi.org/10.1039/D3CP01429K.
In this publication, the electronic degeneracy factors qR1 and qR−1 in eqn (10) were chosen to be 2 and 4, respectively. For reactions involving two spin manifolds, the definition of the electronic degeneracies is not unique, but should be the same. For the current system, it is reasonable to choose the value of 2 for both the forward (R1) and reverse (R−1) processes, as there exists a barrier on the doublet states of the N + N2 system. In addition, conjecturing that a common value applies in such situations for both processes is probably the most sensible approximation when considering the equilibrium. As a result, the rate coefficients reported for R−1 should be divided by a factor of 2. This change does not impact the conclusions.
Acknowledgements: The authors thank Prof. Markus Meuwly for bringing attention to this issue.
The Royal Society of Chemistry apologises for these errors and any consequent inconvenience to authors and readers.
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