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Correction: Designing potentially singlet fission materials with an anti-Kasha behaviour
Ricardo
Pino-Rios
*ab,
Rodrigo
Báez-Grez
c,
Dariusz W.
Szczepanik
d and
Miquel
Solà
*e
aCentro de Investigación Medicina de Altura – CEIMA, Universidad Arturo Prat, Casilla 121, Iquique 1100000, Chile. E-mail: rpinorios@unap.cl
bQuímica y Farmacia, Facultad de Ciencias de la Salud, Universidad Arturo Prat, Casilla 121, Iquique 1100000, Chile
cFacultad de Ciencias, Universidad Arturo Prat, Casilla 121, Iquique, 1100000, Chile
dK. Guminski Department of Theoretical Chemistry, Faculty of Chemistry, Jagiellonian University, Poland
eInstitut de Química Computacional i Catàlisi (IQCC) and Departament de Química, Universitat de Girona, C/Maria Aurèlia Capmany 69, 17003 Girona, Catalonia, Spain. E-mail: miquel.sola@udg.edu
First published on 17th February 2025
Abstract
Correction for ‘Designing potentially singlet fission materials with an anti-Kasha behaviour’ by Ricardo Pino-Rios et al., Phys. Chem. Chem. Phys., 2024, 26, 15386–15392, https://doi.org/10.1039/D4CP01284D.
In the published article, it was not specified that the T1 state used corresponds to the T2 state obtained through the TD-DFT calculation. This is because the original T1 state corresponds to a ghost state. For this reason, the original article specifies that the selection of the state should not only approximate the energy of a reference calculation or experimental value but also should ensure that the orbital transitions correspond to those of the reference used. Having clarified this point, all conclusions reached in the corrected manuscript remain unaltered. A comment1 and a reply2 on this subject will be published in due course.
The Royal Society of Chemistry apologises for these errors and any consequent inconvenience to authors and readers.
Notes and references
- K. Jindal, A. Majumdar and R. Ramakrishnan, Phys. Chem. Chem. Phys. 10.1039/D4CP02863E.
- R. Pino-Rios, R. Báez-Grez, D. W. Szczepanik and M. Solà, Phys. Chem. Chem. Phys. 10.1039/D4CP04691A.
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