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20172026
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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…