2021-01-07 10:01:55 +01:00
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from hydrogen import *
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from qmc_stats import *
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2021-01-12 01:01:52 +01:00
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def MonteCarlo(a, nmax):
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2021-01-26 10:02:38 +01:00
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energy = 0.
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normalization = 0.
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2021-01-12 01:01:52 +01:00
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for istep in range(nmax):
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r = np.random.uniform(-5., 5., (3))
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w = psi(a,r)
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w = w*w
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2021-01-26 10:02:38 +01:00
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normalization += w
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energy += w * e_loc(a,r)
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return energy/normalization
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2021-01-07 10:01:55 +01:00
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2021-01-12 01:01:52 +01:00
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a = 0.9
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nmax = 100000
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X = [MonteCarlo(a,nmax) for i in range(30)]
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E, deltaE = ave_error(X)
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print(f"E = {E} +/- {deltaE}")
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