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today I have a computational doubt and a theoric one.

Starting with the theoric question, suppose I have a generic ideal gas in a cylinder and each particle is subject to a potential dependent on the distance from the center: $ H_i=\frac{p^2}{2m_i}-U(r) $. If I were to find the probability to find the $i$ particle at distance $r$ from the center I may use the Boltzmann notion of probability and calculate: $p_i (r)=\frac{e^{-\beta H_i(r)}}{Z_i} $. I am struggling to interpret what $H_i(r)$ is, is it only the radial part of my Hamiltonian?

Second question is about computing, on some notes I've seen the calculation being performed by an integral of $e^{-\beta H}$ over all the coordinates apart from $r$: $\int d^3p d\theta dz e^{-\beta H}$, is this equal to the $e^{-\beta H(r)}$ result I'm looking for? Why?

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  • $\begingroup$ I think I partially got it, but correct me if I'm wrong, the key is to fix $r$, so that the last integral I've written would make sense if integrated along the radial coordinate as well. And $H_i(r)$ would just mean $H$ with fixed $r$ $\endgroup$
    – JimmyB
    Commented Sep 9 at 14:17

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Let's make it simpler. You have particle on a 2d plane with an Hamiltonian that depends on the distance to some center $r$ and also to the angle with respect to this center $\theta$. You can imagine your system as a cylinder with 0 height.

The probability of finding a particle at a point $(r_0, \theta_0)$ of the plane is:

$P(r=r_0, \theta=\theta_0)=e^{-\beta H(r=r_0,\theta=\theta_0)}/Z$

Where $Z$ is a normalisation function. This is the probability of finding a particle at a given point. Now you may ask, what is the probability of finding a particle at a distance $r_0$ of my center irrespective on its angle. That is: what is the probability of finding my particle at any point that is at distance $r_0$ to my center (a particle sitting on a circle of radius $r_0$). See the difference between this question and the one above?

In this case, the probability is:

$$P(r=r_0)=\int_0^{2\pi}e^{-\beta H(r=r_0, \theta=\theta_0)}r_0 d\theta_0/Z$$

Which has to be understood as the sum over all angles of the probabilities of being at ONE point at distance $r_0$: the probability of finding a particle at a distance $r_0$ from the center is equal to the probability of finding a particle at a distance $r_0$ from the center and angle 0 + the probability of finding a particle at a distance $r_0$ from the center and angle 0.000000..001 + the probability of finding a particle at a distance $r_0$ from the center and angle 0.0000...0002 , etc

For simple Hamiltonian, you will obtain the right radius dependence if you don't perform the integration. For example if $H$ can be written as $H=V_1(r) +V_2(\theta)$ then, the probabilities you will obtain by looking at $P(r,\theta)$ or $P(r)$ will simply differ by a constant and (in the case of $r$) a linear $r$. However, this will not be the case if the radius and the angle are coupled: $H=\cos(\theta)r$.

In general, the process of "integrating" a degree of freedom in a probability distribution is called marginalisation.

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  • $\begingroup$ Could not have been clearer, thanks a lot! $\endgroup$
    – JimmyB
    Commented Sep 10 at 7:04

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