Rotational properties of the harmonic oscillator

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SUMMARY

The discussion centers on evaluating the expectation value of the rotational constant (B) for diatomic molecules using the Harmonic Oscillator model. The user seeks to derive an expression for B's dependence on the vibrational quantum number (ν) and other parameters. They express difficulty in finding a specific Gaussian-like definite integral necessary for their solution and mention a lack of detailed resources on rotational spectroscopy related to harmonic oscillators. The conversation highlights the need for alternative approaches to solving the problem beyond standard integral tables.

PREREQUISITES
  • Understanding of quantum mechanics, specifically the Harmonic Oscillator model.
  • Familiarity with rotational spectroscopy concepts.
  • Knowledge of expectation values in quantum systems.
  • Proficiency in evaluating definite integrals, particularly Gaussian integrals.
NEXT STEPS
  • Research the derivation of expectation values in quantum harmonic oscillators.
  • Study the relationship between vibrational states and rotational constants in diatomic molecules.
  • Explore alternative methods for solving Gaussian-like integrals.
  • Examine advanced texts on rotational spectroscopy for deeper insights.
USEFUL FOR

Students and researchers in quantum mechanics, particularly those focusing on molecular spectroscopy and the harmonic oscillator model, will benefit from this discussion.

DielsAlder
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Hi everybody,

This is my first post in this forum although I started following it some time ago. My question is related to rotational properties involving harmonic oscillator model.

Homework Statement



We are told to evaluate the expectation value of the rotational constant of a diatomic molecule for each vibrational state considering the Harmonic Oscillator model. I have started with the ground vibrational state, but the entire solution of the problem should include an expression for the dependence of the expectation value of B on the quantum number [itex]\upsilon[/itex] and other parameters.

Homework Equations



http://img36.imageshack.us/img36/3463/physicsforum1.jpg

The Attempt at a Solution



http://img189.imageshack.us/img189/1899/physicsforum2.jpg


Do you agree with the way I am solving the problem? I don´t find the last gaussian-like definite integral in any of the tables I have consulted and I cannot find the solution by myself. Could you make me a suggestion about it?

Thanks in advance.
 
Last edited by a moderator:
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Hi again,

I have checked plenty of books about rotational spectroscopy but none of them include a detailed explanation about this topic. They only mention that even for harmonic oscillator the expectation value of 1/R^2 varies with the vibrational state.

I am starting thinking that there may exist a different approach to the problem than solving the definite integrals I have proposed in the previous post.
 

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