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.

Re: N2 DMC energy is better then exact

Postby Vladimir_Konjkov » Tue Mar 13, 2018 2:49 pm

I think that the problem in the energy distribution

N2_hist.png (6.98 KiB) Viewed 1857 times

However, it is the Gaussian distribution. E_mean = -109.542 +/- 0.0004077
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