Computational Physics - Department of Physics

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394 12 Random walks and the Metropolis algorithm


12.3.2Continuous Equations


Hitherto we have considered discretized versions of all equations. Our initial probability dis-
tribution function was then given by
wi( 0 ) =δi, 0 ,


and its time-development after a given time step∆t=εis


wi(t) =∑
j

W(j→i)wj(t= 0 ).

The continuous analog towi( 0 )is
w(x)→δ(x), (12.10)


where we now have generalized the one-dimensional positionxto a generic-dimensional vec-
torx. The Kroeneckerδfunction is replaced by theδdistribution functionδ(x)att= 0.
The transition from a statejto a stateiis now replaced by a transition to a state with
positionyfrom a state with positionx. The discrete sum of transition probabilities can then
be replaced by an integral and we obtain the new distributionat a timet+∆tas


w(y,t+∆t) =


W(y,x,∆t)w(x,t)dx,

and aftermtime steps we have


w(y,t+m∆t) =


W(y,x,m∆t)w(x,t)dx.

When equilibrium is reached we have


w(y) =


W(y,x,t)w(x)dx.

We can solve the equation forw(y,t)by making a Fourier transform to momentum space. The
PDFw(x,t)is related to its Fourier transformw ̃(k,t)through


w(x,t) =

∫∞
−∞
dkexp(ikx)w ̃(k,t), (12.11)

and using the definition of theδ-function


δ(x) =

1

2 π

∫∞
−∞

dkexp(ikx),

we see that
w ̃(k, 0 ) = 1 / 2 π.


We can then use the Fourier-transformed diffusion equation


∂w ̃(k,t)
∂t
=−Dk^2 w ̃(k,t), (12.12)

with the obvious solution


w ̃(k,t) =w ̃(k, 0 )exp

[

−(Dk^2 t)

)

=

1

2 π
exp

[

−(Dk^2 t)

]

.

Using Eq. (12.11) we obtain

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