Canonical partition function for two coupled oscillators

In summary, the canonical partition function for two coupled oscillators describes the statistical properties of a system where two harmonic oscillators interact with each other. The function is derived by considering the energy levels of the coupled system and incorporates the effects of coupling in the Hamiltonian. This leads to a modification of the individual partition functions of each oscillator, resulting in a joint partition function that accounts for the correlations between their motions. The analysis provides insights into thermodynamic quantities such as free energy, entropy, and specific heat, illustrating how coupling influences the behavior of the system at different temperatures.
  • #1
mv_
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Homework Statement
A one-dimensional quantum harmonic oscillator has discrete energy levels, and its Hamiltonian can be expressed as
H(n) = (n + 1/2 )ℏω,
where n = 0, 1, 2, . . . is its quantum number and ω > 0 its characteristic frequency. Now consider the case where you have two coupled oscillators. They can interact with each other as follows:
• If their quantum numbers are different (n1 different from n2), the total energy of the
pair is Utot = U1 + U2, where U1 and U2 are the energies of each oscillator.
• If their quantum numbers are the same, (n1 = n2), Utot = U1 + U2 + ∆,
where ∆ > 0 is a constant
Consider an ensemble made by N distinguishable pairs of quantum oscillators
(the pairs are independent) in contact with a heat bath at temperature T .
1. Find the canonical partition function Z(T, N ) for this system.
2. Calculate the probability that the two oscillators in a pair have the same
quantum number
Relevant Equations
Can someone please help me with the canonical partition function?
I got the hamiltonians for n1 and n2 as (n1+1/2)hw and (n2+1/2)hw. Since the an ensemble is made by N distinguishable pairs of quantum oscillators, the general canonical partition function for the system is 1/N!((sum(-BH(n1))sum(-BH(n2))), where B is the thermodynamic beta.

I got to the step above, but not sure the work is right or not since 2 cases (n1 different from n2 and n1=n2) make me a bit confused. Can someone please check my work and let me know if I'm doing something wrong? Thanks so much
 
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  • #2
Welcome to PF!

mv_ said:
Since the an ensemble is made by N distinguishable pairs of quantum oscillators, the general canonical partition function for the system is 1/N!((sum(-BH(n1))sum(-BH(n2))), where B is the thermodynamic beta.
This doesn't look correct.

Let the word "molecule" refer to one pair of coupled oscillators. So, the system consists of N distinguishable, noninteracting molecules.

For distinguishable molecules, should you include the factor 1/N! ?

The rest of your expression is ((sum(-BH(n1))sum(-BH(n2)). Did you intend to include some exponential functions? $$\sum_{n_1=0}^\infty e^{-\beta H(n_1)} \sum_{n_2=0} ^\infty e^{-\beta H(n_2)}$$

This expression appears to apply to a single molecule rather than to the system of N molecules. Also, how does this expression include the interaction energy ##\Delta## between the two oscillators in a molecule?

Since the molecules are noninteracting, the partition function for the system of N molecules can be expressed easily in terms of the partition function of a single molecule. So, I recommend that you first find the partition function for a single molecule.

Since the two oscillators within the molecule are coupled (i.e., they interact with each other), the partition function for the molecule will not be the product of two separate sums as in the expression above.

Start with the general definition of the partition function ##Z## for a system with discrete energies and apply it to a single molecule.

This homework problem involves detailed calculations. I believe that the only way we are going to be able to follow your work is if you type in your mathematical expressions using Latex. See Latex Guide.
 

FAQ: Canonical partition function for two coupled oscillators

What is the canonical partition function for two coupled oscillators?

The canonical partition function for two coupled oscillators is a mathematical function that describes the statistical properties of a system with two interacting harmonic oscillators. It is used to calculate various thermodynamic quantities and is given by the integral over all possible states of the system, weighted by the Boltzmann factor, exp(-βH), where H is the Hamiltonian of the system and β is the inverse temperature (1/kT).

How do you derive the canonical partition function for two coupled oscillators?

To derive the canonical partition function for two coupled oscillators, you start with the Hamiltonian for the system, which includes both the kinetic and potential energy terms. For two coupled harmonic oscillators, the Hamiltonian generally takes the form H = (p1^2 + p2^2)/(2m) + 1/2 * m * ω^2 * (x1^2 + x2^2) + k * x1 * x2, where p1 and p2 are the momenta, x1 and x2 are the positions, m is the mass, ω is the angular frequency, and k is the coupling constant. You then integrate the Boltzmann factor exp(-βH) over all possible values of p1, p2, x1, and x2 to obtain the partition function.

What role does the coupling constant play in the partition function?

The coupling constant, often denoted as k, represents the interaction strength between the two oscillators. It affects the Hamiltonian and, consequently, the partition function. A non-zero coupling constant means that the oscillators are not independent, and their energies are interdependent. This coupling modifies the energy levels of the system and, therefore, impacts the thermodynamic properties derived from the partition function.

How does temperature affect the canonical partition function for two coupled oscillators?

Temperature affects the canonical partition function through the Boltzmann factor, exp(-βH), where β = 1/kT (k is the Boltzmann constant and T is the temperature). As the temperature increases, the value of β decreases, making the Boltzmann factor larger for higher energy states. This means that at higher temperatures, higher energy states contribute more significantly to the partition function, altering the thermodynamic properties of the system.

Can the canonical partition function for two coupled oscillators be used to calculate specific heat?

Yes, the canonical partition function for two coupled oscillators can be used to calculate specific heat. First, you compute the partition function Z. Then, you find the average energy ⟨E⟩ using the relation ⟨E⟩ = -∂ln(Z)/∂β. The specific heat

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