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rotational partition function : ウィキペディア英語版
rotational partition function
The rotational partition function relates the rotational degrees of freedom to the rotational part of the energy.
== Definition ==

The total canonical partition function Z of a system of N identical, noninteracting atoms or molecules can be divided into the atomic or molecular partition functions 〔Donald A. McQuarrie, ''Statistical Mechanics'', Harper \& Row, 1973 〕
\zeta .
: Z = \frac
with
: \zeta = \sum_j g_j e^
Where g_j is the degeneracy of the j'th quantum level of an individual particle, k_B is the Boltzmann constant,
and T is the absolute temperature of system.
for molecules, under the assumption that that total energy levels E_j can be partitioned into its contributions from different degrees of freedom (weakly coupled degrees of freedom)〔Donald A. McQuarrie, ''ibid'' 〕
: E_j = \sum_i E_j^ =E_j^+ E_j^+ E_j^+E_j^+E_j^
and the number of degenerate states are given as products of the single contributions
: g_j =\prod_i g_j^i =g_j^ g_j^ g_j^g_j^g_j^,
where "trans", "ns", "rot", "vib" and "e" denotes translational, nuclear spin, rotational and vibrational contributions as well as electron excitation, the molecular partition functions
: \zeta=\sum_j g_j e^
can be written as a product itself
: \zeta =\prod_i \zeta^i =\zeta^ \zeta^ \zeta^\zeta^\zeta^.

抄文引用元・出典: フリー百科事典『 ウィキペディア(Wikipedia)
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