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The grand canonical partition function applies to a grand canonical ensemble, in which the system can exchange both heat and particles with the environment, at fixed temperature, volume, and chemical potential. Other types of partition functions can be defined for different circumstances; see partition function (mathematics) for
Rotational energies are quantized. For a diatomic molecule like CO or HCl, or a linear polyatomic molecule like OCS in its ground vibrational state, the allowed rotational energies in the rigid rotor approximation are = = (+) = (+). J is the quantum number for total rotational angular momentum and takes all integer values starting at zero, i.e., =,,, …, = is the rotational constant, and is ...
The partition function or configuration integral, as used in probability theory, information theory and dynamical systems, is a generalization of the definition of a partition function in statistical mechanics. It is a special case of a normalizing constant in probability theory, for the Boltzmann distribution.
In statistical mechanics, the translational partition function, is that part of the partition function resulting from the movement (translation) of the center of mass. For a single atom or molecule in a low pressure gas, neglecting the interactions of molecules , the canonical ensemble q T {\displaystyle q_{T}} can be approximated by: [ 1 ]
The partition function can be solved exactly in free theories by completing the square in terms of the fields. Since a shift by a constant does not affect the path integral measure , this allows for separating the partition function into a constant of proportionality N {\displaystyle N} arising from the path integral, and a second term that ...
The vibrational partition function [1] 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.
Boltzmann's equation = is the realization that the entropy is proportional to with the constant of proportionality being the Boltzmann constant. Using the ideal gas equation of state ( PV = NkT ), It follows immediately that β = 1 / k T {\displaystyle \beta =1/kT} and α = − μ / k T {\displaystyle \alpha =-\mu /kT} so that the ...
Partition function may refer to: Partition function (statistical mechanics) , a function used to derive thermodynamic properties Rotational partition function , partition function for the rotational modes of a molecule