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Outputs of the calculation

The advantage of Diffusion Monte Carlo with respect to usual Variational Monte Carlo methods is that it provides the possibility to calculate pure estimators, which have no bias due to the choice of the trial wave function. This is true for such important quantities as the energy, radial distribution function and superfluid density. For other quantities such as the one body density matrix the DMC method provides mixed estimator which, used in correction with outputs of VMC calculations, allows one to reduce the bias of the trial wavefunction.

Subsections