activity
20172025
most citedThe HANDE-QMC project: open-source stochastic quantum chemistry from the ground state up

44 citations · 243 across the 11 of their papers we have counts for

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Showing 2019Show all

2 papers · 1 filter

physics.chem-ph2019★ 23 cited

Diagrammatic Coupled Cluster Monte Carlo

Charles J. C. Scott, Roberto Di Remigio, T. Daniel Crawford +1

We propose a modified coupled cluster Monte Carlo algorithm that stochastically samples connected terms within the truncated Baker--Campbell--Hausdorff expansion of the similarity…

physics.chem-ph2019★ 30 cited

Preconditioning and perturbative estimators in full configuration interaction quantum Monte Carlo

Nick S. Blunt, Alex J. W. Thom, Charles J. C. Scott

We propose the use of preconditioning in FCIQMC which, in combination with perturbative estimators, greatly increases the efficiency of the algorithm. The use of preconditioning al…