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physics.comp-ph2022★ 4 cited
Full Configuration Interaction Excited-State Energies in Large Active Spaces from Subspace Iteration with Repeated Random Sparsification
Samuel M. Greene, Robert J. Webber, James E. T. Smith +2
We present a stable and systematically improvable quantum Monte Carlo (QMC) approach to calculating excited-state energies, which we implement using our fast randomized iteration m…
physics.comp-ph2020
Improved Fast Randomized Iteration Approach to Full Configuration Interaction
Samuel M. Greene, Robert J. Webber, Jonathan Weare +1
We present three modifications to our recently introduced fast randomized iteration method for full configuration interaction (FCI-FRI) and investigate their effects on the method'…