Correction to Norm-conserving pseudopotentials and basis sets to explore Lanthanide chemistry in complex environments

Journal Article · Tue Jul 14 04:00:00 EDT 2020 · Journal of Chemical Theory and Computation

DOI:https://doi.org/10.1021/acs.jctc.0c00553· OSTI ID:1638948

Lu, Jun-Bo ^[1]; Cantu Cantu, David ^[2]; Nguyen, Manh Thuong ^[3]; Li, Jun ^[1]; Glezakou, Vassiliki-Alexandra ^[3]; Rousseau, Roger J. ^[3]

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1. Tsinghua University
2. UNIVERSITY PROGRAMS
3. BATTELLE (PACIFIC NW LAB)

Correction was made to the funding and acknowledgment: Funding V.-A.G. was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division. R.R. and M.-T.N. were supported by the Laboratory Directed Research and Development Program at Pacific Northwest National Laboratory (PNNL) CheMSR Agile Investment. PNNL is operated by DE-AC05-76RLO01830. J.-B.L. and J.L. were supported by the National Natural Science Foundation of China (Nos. 21433005, 91645203, and 21590792). D.C.C. was supported by Research and Innovation at the University of Nevada, Reno. ACKNOWLEDGMENTS The research was performed using resources available through Research Computing at Pacific Northwest National Laboratory (PNNL), Tsinghua National Laboratory for Information Science and Technology and the Computational Chemistry Laboratory under Tsinghua Xuetang Talents Program, and University of Nevada, Reno High Performance Computing. J.- B.L. and J.L. acknowledge discussions with Dr. Yang-Gang Wang (Southern University of Science and Technology).

• Research Organization: Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)
• Sponsoring Organization: USDOE
• DOE Contract Number: AC05-76RL01830
• OSTI ID: 1638948
• Report Number(s): PNNL-SA-153753
• Journal Information: Journal of Chemical Theory and Computation, Journal Name: Journal of Chemical Theory and Computation Journal Issue: 7 Vol. 16
• Country of Publication: United States
• Language: English