506 citations · 2k across the 10 of their papers we have counts for
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physics.chem-ph2017★ 212 cited
Cheap and near exact CASSCF with large active spaces
James E. T. Smith, Adam A. Holmes, Bastien Mussard +1
We use the recently-developed Heat-bath Configuration Interaction (HCI) algorithm as an efficient active-space solver to perform multi-configuration self-consistent field calculati…
cond-mat.str-el2017★ 150 cited
Excited states using semistochastic heat-bath configuration interaction
Adam A. Holmes, C. J. Umrigar, Sandeep Sharma
We extend our recently-developed heat-bath configuration interaction (HCI) algorithm, and our semistochastic algorithm for performing multireference perturbation theory, to the cal…