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We recently proposed a semi-stochastic approach to converging high-levelcoupled-cluster (CC) energetics, such as those obtained in the CC calculationswith singles, doubles, and triples (CCSDT), in which the deterministicCC($P$;$Q$) framework is merged with the stochastic configuration interactionQuantum Monte Carlo propagations [J. E. Deustua, J. Shen, and P. Piecuch, Phys.Rev. Lett. 119, 223003 (2017)]. In this work, we investigate the ability of thesemi-stochastic CC($P$;$Q$) methodology to recover the CCSDT energies of thelowest singlet and triplet states and the corresponding singlet-triplet gaps ofbiradical systems using methylene, ${\rm (HFH)}^{-}$, cyclobutadiene,cyclopentadienyl cation, and trimethylenemethane as examples.

Benchmarking the Semi-Stochastic CC(P;Q) Approach for Singlet-Triplet Gaps in Biradicals