Erratum pubs.acs.org/JCTC
Correction to Multiconfiguration Pair-Density Functional Theory Outperforms Kohn−Sham Density Functional Theory and Multireference Perturbation Theory for Ground-State and ExcitedState Charge Transfer Soumen Ghosh, Andrew L. Sonnenberger, Chad E. Hoyer, Donald G. Truhlar,* and Laura Gagliardi* Department of Chemistry, Chemical Theory Center, and Minnesota Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455, United States
J. Chem. Theory Comput. 2015, 11 (8), 3643−3649. DOI:10.1021/acs.jctc.5b00456 S Supporting Information *
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e found a minor error in the electronic structure code that performs MC-PDFT calculations. It changes the total energies of the tPBE calculations for triplet states, but it does not change their excitation energies to the number of figures reported in the paper nor does it change the discussion or conclusions in the original publication.1
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ASSOCIATED CONTENT
S Supporting Information *
The Supporting Information is available free of charge on the ACS Publications website at DOI: 10.1021/acs.jctc.5b01116. Corrected total energies for triplet states (PDF)
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REFERENCES
(1) Ghosh, S.; Sonnenberger, A. S.; Hoyer, C. E.; Truhlar, D. G.; Gagliardi, L. J. Chem. Theory Comput. 2015, 11, 3643−3649.
© 2015 American Chemical Society
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DOI: 10.1021/acs.jctc.5b01116 J. Chem. Theory Comput. XXXX, XXX, XXX−XXX
