Correction to Coupled Cluster Method with Single and Double

Addition/Correction pubs.acs.org/JPCL

Correction to Coupled Cluster Method with Single and Double Excitations Tailored by Matrix Product State Wave Functions Libor Veis,* Andrej Antalík, Jiří Brabec, Frank Neese, Ö rs Legeza,* and Jiří Pittner* J. Phys. Chem. Lett. 2016, 7 (20), 4072−4078. DOI: 10.1021/acs.jpclett.6b01908

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(13) Piecuch, P.; Kowalski, K. In Computational Chemistry: Reviews of Current Trends; Leszczynski, J., Ed.; World Scientific: Singapore, 2000; Vol. 5, pp 1−104. (14) Kowalski, K.; Piecuch, P. J. Chem. Phys. 2000, 113, 18.

he text at the beginning of the theory section of our paper might lead to the misleading interpretation that the ansatz (eq 1) was invented by Kinoshita, Hino, and Bartlett.1 The split-amplitude ansatz (eq 1) itself is substantially older than the tailored coupled cluster (TCC) method, and to the best of our knowledge, it dates back to the works of Piecuch, Oliphant, and Adamowicz from 1993 to 1994.2,3 It has been widely employed in the meantime, giving rise to various active space CC methods,4,5 depending on the way the active space amplitudes have been treated; however, Kinoshita et al.1 first employed it in the TCC manner. In the context of externally corrected CC methods, our selection of cited works was missing important contributions by Piecuch, Kowalski, et al.,6−13 who employed non-CC wave functions of the MRCI and MRMBPT types in constructing noniterative corrections to CC and EOMCC energies exploiting moment energy expansions introduced in refs 13 and 14 for the ground state and ref 12 for excited states. We use this opportunity also to include the acknowledgment to funding from the Hungarian Research Fund (OTKA) (Grant No. K120569), which was omitted by mistake in our paper.

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AUTHOR INFORMATION

Corresponding Authors

*E-mail: [email protected] (L.V.). *E-mail: [email protected] (O.L.). *E-mail: [email protected] (J.P.).

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REFERENCES

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DOI: 10.1021/acs.jpclett.6b02912 J. Phys. Chem. Lett. 2017, 8, 291−291