Large-Scale Benchmarking of Multireference Vertical-Excitation Calculations via Automated Active-Space Selection
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Full Citation
D. S. King, M. R. Hermes, D. G. Truhlar, and L. Gagliardi, Large-Scale Benchmarking of Multireference Vertical-Excitation Calculations via Automated Active-Space Selection, J. Chem. Theory Comput., 2022, 18, 6065–6076. DOI: 10.1021/acs.jctc.2c00630