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Modelowanie molekularne - metody Monte Carlo

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Wprowadzenie Pola siłowe Klasyczna metoda <strong>Monte</strong> <strong>Carlo</strong> Kwantowe <strong>metody</strong> <strong>Monte</strong> <strong>Carlo</strong><br />

Całkowanie metodą <strong>Monte</strong> <strong>Carlo</strong><br />

Odchylenie standardowe:<br />

σ =<br />

=<br />

=<br />

√<br />

√ ∑Ni=1<br />

E((X − E(X )) 2 ) (f (x i ) − 〈f 〉)<br />

=<br />

2<br />

=<br />

N<br />

N<br />

√ ∑Ni=1 f 2 (x i )<br />

N − 2〈f 〉 ∑ N f (x i )<br />

i=1 N + ∑ N 〈f 〉 2<br />

i=1 N<br />

N<br />

√ ∑Ni=1<br />

√<br />

f 2 (x i )<br />

N − 2〈f 〉2 + 〈f 〉 2 〈f<br />

=<br />

2 〉 − 〈f 〉 2<br />

.<br />

N<br />

N

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