N2 DMC energy is better then exact

General discussion of the Cambridge quantum Monte Carlo code CASINO; how to install and setup; how to use it; what it does; applications.
Vladimir_Konjkov
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Joined: Wed Apr 15, 2015 3:14 pm

Re: N2 DMC energy is better then exact

Post by Vladimir_Konjkov »

I think that the problem in the energy distribution
N2_hist.png
N2_hist.png (6.98 KiB) Viewed 9795 times
However, it is the Gaussian distribution. E_mean = -109.542 +/- 0.0004077
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