Periodic group: Difference between revisions

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written down the formula as found in the reference linked to
 
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{{Unreferenced|auto=yes|date=December 2009}}
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The '''vibrational partition function''' traditionally refers to the component of the [[canonical partition function]] resulting from the vibrational degrees of freedom of a system. The vibrational partition function is only well-defined in model systems where the vibrational motion is relatively uncoupled with the system's other degrees of freedom.
 
==Approximations==
===Quantum Harmonic Oscillator===
The most common approximation to the vibrational partition function uses a model in which the [[vibrational eigenmodes]] or [[normal mode|vibrational normal modes]] of the system are considered to be a set of uncoupled quantum harmonic oscillators. It is a first order approximation to the partition function which allows one to calculate the contribution of the vibrational degree of freedom of molecules towards thermodynamic variables. A quantum harmonic oscillator has an energy spectrum characterized by:
 
<math>E_{j,i}=\hbar\omega_j(i+\frac{1}{2})</math>
 
where j is an index representing the vibrational mode, and i is the quantum number for each energy level of the jth vibrational mode. The vibrational partition function is then calculated as:
 
<math>Q_{vib}=\prod_j{\sum_i{e^{-\frac{E_{j,i}}{kT}}}}</math>
 
==See also==
* [[Partition function (mathematics)]]
 
{{Statistical mechanics topics}}
 
{{DEFAULTSORT:Vibrational Partition Function}}
 
{{Physics-stub}}
[[Category:Partition functions]]

Latest revision as of 14:52, 14 December 2014

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