Finding the vibrational partition function of a diatomic molecule

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SUMMARY

The discussion focuses on the derivation of the vibrational partition function for a diatomic molecule, utilizing the harmonic oscillator model. The energy levels are approximated as harmonic, leading to the expression for the partition function as (1 - exp(-hw/KbT))^-1. This formulation arises from the summation of an infinite geometric series, specifically $$\sum_{n=0}^{\infty} x^n = \frac{1}{1 - x}$$, where |x| < 1. The two degrees of vibrational freedom in diatomic molecules contribute to this partition function calculation.

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  • Understanding of quantum mechanics and harmonic oscillators
  • Familiarity with statistical mechanics concepts
  • Knowledge of partition functions in thermodynamics
  • Basic mathematical skills in series summation
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This discussion is beneficial for physicists, chemists, and students studying quantum mechanics and statistical mechanics, particularly those focusing on molecular thermodynamics and vibrational analysis.

thegirl
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Hi,
How did they break down the following summation?
Screen Shot 2016-03-27 at 18.46.06.png

When finding the vibrational partition function ofa diatomic molecule it was approximated that the energy levels of the vibrational part of the diatomic molecule were harmonic and therefore the energy equation for a harmonic oscillator was used. Is the summation made to equal (1 - exp( - hw/KbT))^-1 because there are two degrees of vibrational freedom and therefore two energy levels? Or isit just due to maths?
 
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It's just the math:
$$
\sum_{n=0}^{\infty} x^n = \frac{1}{1 -x}
$$
for ##|x|<1##.
 
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Likes   Reactions: vanhees71 and thegirl
Omg, thank you!
 

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