Why is there a sin^2(theta) factor in the diatomic molecule Hamiltonian?

In summary, the task was to find the Hamiltonian for a diatomic molecule that only rotates and translates, assuming no change in potential energy. The correct solution involves using a spherical coordinate system and considering the rotational and translational kinetic energies separately. The final Hamiltonian should include a factor of sin^2(theta) in the rotation component.
  • #1
Andurien
5
0

Homework Statement


I have to find the hamiltonian for a diatomic molecule, where the molecule can only rotate and translate and we supose that potencial energy doesn't change.

Homework Equations


The Attempt at a Solution



Okey so I used Spherical coordinate system such as the kinetic energy of the molecule is
[tex]T=\frac{1}{2}(m\dot{r}^2+I(\dot{\phi}^2+I(\dot{θ})^2)=L[/tex]

To find the Hamiltonian I've considered:

[tex]P_r=m\dot{r} \Rightarrow \dot{r}=\frac{P_r}{m}[/tex]

And so on for the other momentum so the final solution for the hamiltonian is:

[tex]H=\frac{1}{2}(\frac{P_r^2}{m}+\frac{P_\phi^2}{I}+ \frac{P_θ^2}{I})[/tex]

BUT the correct solution given by my professor is:
[tex]H=\frac{1}{2}(\frac{P_r^2}{m}+\frac{P_\phi^2}{I \sin^2\theta}+ \frac{P_θ^2}{I})[/tex]

So I don't know why is there a sin^2\theta factor.
 
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  • #2
Andurien said:
Okey so I used Spherical coordinate system such as the kinetic energy of the molecule is
[tex]T=\frac{1}{2}(m\dot{r}^2+I(\dot{\phi}^2+I(\dot{θ})^2)=L[/tex]
The problem lies in where you started. How'd you come up with this?
 
  • #3
Yep I already solved the problem. You were right Vela i started wrong. I divided the Hamiltonian between the lagrangian for the translation kinetic energy and the rotation kinetic energy so:
[tex]T_t=\frac{1}{2}M(\dot{x}^2+\dot{y}^2+\dot{z}^2)= \frac{1}{2M} (P_x^2+P_y^2+P_z^2)[/tex]

And then the rotation one:
[tex]T_{rot}=\frac{1}{2}Mr^2[\dot{\theta^2}+\dot{\phi}^2\sin^2(\theta)][/tex]

And then just like before i get the hamiltonian.

Thank you for the response and sorry for my english ;)
 

1. What is a diatomic molecule Hamiltonian?

The diatomic molecule Hamiltonian is a mathematical representation of the energy of a diatomic molecule. It takes into account the kinetic energy of the atoms and the potential energy due to their interactions.

2. How is the diatomic molecule Hamiltonian calculated?

The diatomic molecule Hamiltonian is calculated using the Schrödinger equation, which is a fundamental equation in quantum mechanics. It involves solving for the wave function of the molecule, which describes the probability of finding the atoms at a given position and time.

3. What factors are included in the diatomic molecule Hamiltonian?

The diatomic molecule Hamiltonian includes the mass of the atoms, their positions and momenta, and the potential energy due to their interactions. It may also take into account other factors such as the spin of the atoms and the effects of external fields.

4. Why is the diatomic molecule Hamiltonian important in chemistry?

The diatomic molecule Hamiltonian allows us to accurately predict the behavior of diatomic molecules, which are important in many chemical reactions and processes. It also provides insight into the fundamental principles of quantum mechanics and the nature of chemical bonds.

5. Can the diatomic molecule Hamiltonian be applied to more complex molecules?

Yes, the principles of the diatomic molecule Hamiltonian can be extended to more complex molecules by including additional terms and factors. However, the calculations become increasingly complex and may require the use of computational methods.

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