Accelerating convergence of equation-of-motion coupled-cluster computations using the semi-stochastic CC(P;Q) formalism
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DOI: 10.1080/00268976.2020.1817592
Abstract: The recently proposed approach to excited electronic states, in which the deterministic equation-of-motion coupled-cluster (EOMCC) framework is merged with stochastic configuration interaction Quantum Monte Carlo (CIQMC) computations [J.E. Deustua et al., J. Chem. Phys. 150,… read more here.
Keywords: motion coupled; coupled cluster; semi stochastic; equation motion ... See more keywords