Partition function problem

In summary: K}\right)^{3/2} \frac{1}{2h^6} \int_{-\infty}^{\infty} e^{-\beta \left(\frac{p_1^2}{2m} + \frac{p_2^2}{2m} \right)} d\vec p \\&= \left(\frac{\pi}{\beta K}\right)^{3/2} \frac{1}{2h^6} \left(\int_{-\infty}^{\infty} e^{-\beta \frac{p_1^2}{2m}} dp_1 \right)^2 \\&= \left(\
  • #1
merkamerka
2
0
I need some help with this problem:

Consider a diatomic molecule closed in a cubic container of volume [itex] V [/itex] which hamiltonian is:
[tex]H=\frac{p_1^2}{2m}+\frac{p_2^2}{2m}+\frac{K}{2}| \vec r_2 - \vec r_1|^2[/tex]
where [itex]\vec r_1, \vec r_2[/itex] are the positions of the two atoms.

a) Find the partition function in the limit [itex]V \longrightarrow \infty[/itex].
b) Find (also for [itex]V \longrightarrow \infty[/itex] and without using the equipartition theorem) the mean value of [itex]|\vec r_2 - \vec r_1|^2[/itex].

In particular I have some problems evaluating the integral

[tex]\frac{1}{N!h^{3N}}\int e^{- \beta H(\vec q, \vec p)} d\vec q \ d\vec p[/tex]

Thanks!
 
Last edited:
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  • #2
a) The partition function in the limit V→∞ is given by\begin{equation}Z = \frac{1}{N! h^{3N}} \int_{-\infty}^{\infty} e^{-\beta H(\vec q, \vec p)} d\vec q \ d\vec p \end{equation}where N is the number of atoms, h is Planck's constant, and β is the inverse temperature. For a diatomic molecule, N=2. Using the Hamiltonian given in the problem, we obtain\begin{align}Z &= \frac{1}{2h^6} \int_{-\infty}^{\infty} e^{-\beta \left(\frac{p_1^2}{2m} + \frac{p_2^2}{2m} + \frac{K}{2}|\vec r_2 - \vec r_1|^2 \right)} d\vec q \ d\vec p \\&= \frac{1}{2h^6} \int_{-\infty}^{\infty} e^{-\beta \left(\frac{p_1^2}{2m} + \frac{p_2^2}{2m} \right)} \int_{-\infty}^{\infty}e^{-\beta\frac{K}{2}|\vec r_2 - \vec r_1|^2} d\vec r_1 \ d\vec r_2 \ d\vec p \\&= \frac{1}{2h^6} \int_{-\infty}^{\infty} e^{-\beta \left(\frac{p_1^2}{2m} + \frac{p_2^2}{2m} \right)} \int_{-\infty}^{\infty}e^{-\beta\frac{K}{2}r_1^2} \int_{-\infty}^{\infty}e^{-\beta\frac{K}{2}r_2^2} d\vec r_1 \ d\vec r_2 \ d\vec p \\&= \left
 

What is the partition function problem?

The partition function problem is a mathematical problem in statistical mechanics that involves calculating the partition function, which is a mathematical function that describes the statistical properties of a physical system.

Why is the partition function important?

The partition function is important because it allows us to calculate important thermodynamic quantities such as the free energy, entropy, and average energy of a physical system. These quantities provide valuable information about the behavior and properties of the system.

How is the partition function calculated?

The partition function is calculated by summing over all possible states of the system, each multiplied by a Boltzmann factor. The Boltzmann factor takes into account the energy level and temperature of the system. This summation can be done analytically for simple systems, but for more complex systems, numerical methods are often used.

What are the challenges in solving the partition function problem?

One of the main challenges in solving the partition function problem is dealing with systems that have a large number of possible states, making the summation computationally expensive. Another challenge is dealing with systems that have interactions between particles, which can make the calculation more complex.

How is the partition function problem related to other areas of science?

The partition function problem is related to many areas of science, including physics, chemistry, biology, and engineering. It is used to study the behavior of systems at the atomic and molecular level, and is essential for understanding many physical and chemical processes. It also has applications in fields such as materials science, drug design, and climate modeling.

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