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<center><wz tip="Distribution of Monte-Carlo simulated ground state positions for a particle in an infinite square well.">[[File:Screenshot_20200212_061833.png|400px]]</wz></center>

Revision as of 06:19, 12 February 2020

Crash course in Julia (programming)

Julia is a powerful/efficient/high-level computer programming language. You can get into interacting mode right-away with:

julia

You may need to install packages, which can be done as follows:

import Pkg; Pkg.add("Distributions")

Once this is done (once for ever on a given machine), you can then be:

using Distributions

Let us generate ten thousands random points following a squared-uniform probability distribution, $X^2$.

lst=[rand()^2 for i=1:10^5]

and after

using Plots
histogram(lst)
Julia-randX2.png

The theoretical result is obtained by differentiating the cumulative function, $f_{X^2}=dF_{X^2}/dx$, with

$$F_{X^2}(x)\equiv\mathbb{P}(X^2\le x)$$

but $\mathbb{P}(X^2\le x)=\mathbb{P}(X\le\sqrt{x})=\sqrt{x}$, since the probability is uniform. Therefore:

$$f_{X^2}(x)={1\over2\sqrt{x}}$$

Let us check:

f(x)=1/(2*sqrt(x))
histogram(lst,norm=true)
plot!(f,.01,1, linewidth = 4, linecolor = :red, linealpha=0.75)

The ! means to plot on the existing display. This seems to work indeed:

Julia-randX2th.png

Let's have a look at the distribution of inverse random numbers, also sampled from a uniform distribution between 0 and 1. This time, the support is infinite (it is $[1,\infty[$). The theoretical distribution is $f_{1/X}=d\mathbb{P}_{1/X}/dx$ with $\mathbb{P}_{1/X}=\mathbb{P}(1/X\le x)=\mathbb{P}(X\ge 1/x)=1-1/x$ (being uniform again), so that $f_{1/X}(x)=1/x^2$.

This time we'll use a lot of points to make sure we get the exact result:

@time lst = [1/rand() for i=1:10^8]

The @time allows us to benchmark the time and memory resources involved. As you can see, on a 2020 machine, it's pretty fast (for a hundred million points!)

  0.427357 seconds (67.69 k allocations: 766.257 MiB, 0.65% gc time)

The result is also consequently very smooth:

@time histogram(lst,norm=true,bins=0:.01:10)

returning

4.644046 seconds (4.88 k allocations: 1.490 GiB, 1.74% gc time)

and, after also

f(x)=1/x^2
plot!(f,1,10,linewidth=4,linecolor=:red,linealpha=.75)
Screenshot 20200211 125427.png

This is slightly off, clearly. The culprit is our distribution function, which density should be 1 at x=1 and is more than that. The problem is the norm option of histogram, that normalizes to what is plotted (or retained). And we have points beyond that. We can use this number to renormalize our theory plot. This is how many numbers we have:

sum(lst .< 10)

and this is the list of these numbers:

lst[lst .> 100]

Let us now explore numerically a very interesting (and important) phenomenon. For that, we'll need the Cauchy function from the above-loaded "Distributions" package. This is a histogram of $10^5$ Cauchy-distributed points:

histogram(rand(Cauchy(),10^5))
Screenshot 20200211 141839.png

Here the binning is mandatory:

histogram(rand(Cauchy(),10^5),bins=-10:.5:10,norm=true)
Screenshot 20200211 142148.png

Let us now look at how to generate random numbers on our own. For instance, let us say we want to simulate the ground state of a particle in a box, with probability distribution over $[0,1]$ given by:

$$\psi^2(x)=2\sin^2(\pi x)$$

We can use unicode characters by entering \psi+TAB and call our density of probability ψ2, which in quantum mechanics is given by the modulus square of the probability amplitude (in 1D the wavefunction can always be taken real so we do not need worry about the modulus):

ψ2(x)=2*sin(pi*x)^2

That's our density of probability:

using LaTeXStrings
default(; w=3)
plot(ψ2,0,1, title=L"2\sin^2(x)", xlabel=L"x", ylabel=L"\psi^2(x)",dpi=150,legend=false)

where we decorated the plot with a lot of options, but the width which we gave as a default attribute, not to do it in the future (and since we like thick lines).

Screenshot 20200211 160319.png

We will compute $\int_0^1\psi^2(x)\,dx$ by computing Riemann sums, i.e., as a sum of parallelograms defined in a partition of the support of the function (here $[0,1]$) cut into $n$ intervals. Calling $f$ the function to integrate, this is defined as:

$$R_n=\sum_{i=1}^{n}f(x_i)\delta(i)$$

a, b = 0, 1; # boundaries
lx=range(a, stop=b, length=11) # list of x intervals
δ=diff(lx) # widths of intervals
lxi=lx[1:end-1] # x_i points of parallelograms

We can now check the normalization:

sum([ψ2(lxi[i])[i] for i=1:length(lxi)])
1.0

The cumulative is obtained as:

Ψ=[sum([ψ2(lxi[i])[i] for i=1:j]) for j=1:length(lxi)]

This is the result for 100 intervals (length=101 above):

plot(lxi, Ψ, legend=false, title="Cumulative")
Screenshot 20200211 163309.png

Now the generation of a random number following the initial distribution works as follows. We select randomly (uniformly) a number on the $y$-axis of the cumulative and find the corresponding $x$ such that $F(x)=y$. Those $x$ are $f$&nbps;distributed.

This is achieved as follows:

yr=rand()
fx=lx[[findmin(abs.(Ψ.-rand()))[2] for i=1:10]]

Here are some positions where our ground state collapsed:

10-element Array{Float64,1}:
 0.55
 0.96
 0.24
 0.5 
 0.58
 0.16
 0.67
 0.74
 0.08
 0.46
Screenshot 20200212 061833.png