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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
In quantum field theory, partition functions are generating functionals for correlation functions, making them key objects of study in the path integral formalism. They are the imaginary time versions of statistical mechanics partition functions , giving rise to a close connection between these two areas of physics.
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 ]
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.
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.
The characteristic rotational temperature (θ R or θ rot) is commonly used in statistical thermodynamics to simplify the expression of the rotational partition function and the rotational contribution to molecular thermodynamic properties.
The vibrational temperature is commonly used in thermodynamics, to simplify certain equations.It has units of temperature and is defined as = ~ = where is the Boltzmann constant, is the speed of light, ~ is the wavenumber, and (Greek letter nu) is the characteristic frequency of the oscillator.