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The covariance term

Using the definition of the total sample variance we have

σ2m=σ2m+2mn2mi=1nj<k˜xij˜xik.

The first term is what we have used till now in order to estimate the standard deviation. However, the second term which gives us a measure of the correlations between different stochastic events, can result in contributions which give rise to a larger standard deviation and variance σ2m. Note also the evaluation of the second term leads to a double sum over all events. If we run a VMC calculation with say 109 Monte carlo samples, the latter term would lead to 1018 function evaluations. We don't want to, by obvious reasons, to venture into that many evaluations.

Note also that if our stochastic events are iid then the covariance terms is zero.