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Assessment of multireference approaches to explicitly correlated full configuration interaction quantum Monte Carlo.

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Figure

FIG. 1: Absolute errors of the total energies per correlated electron for the G1 set of molecules, calculated with the FCIQMC method, and the FCIQMC-R12 and CT-FCIQMC methods (with one-electron BSIE corrections) in
FIG. 2: Absolute errors of the atomization energies for the G1 set of molecules, calculated with the FCIQMC method, and the FCIQMC-R12 and CT-FCIQMC methods (with one-electron BSIE corrections) in aug-cc-pVDZ
FIG. 3: Distribution of the absolute errors in the atomization energies of the G1 set, fitted to Weibull

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