Editing Canonical ensemble
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* Volume, <math> V </math> | * Volume, <math> V </math> | ||
* | * Temperature, <math> T </math> | ||
== Partition Function == | == Partition Function == | ||
:<math>Q_{NVT} | ''Classical'' Partition Function (one-component system) in a three-dimensional space: <math> Q_{NVT} </math> | ||
:<math> Q_{NVT} = \frac{V^N}{N! \Lambda^{3N} } \int d (R^*)^{3N} \exp \left[ - \beta U \left( V, (R^*)^{3N} \right) \right] </math> | |||
:<math> Q_{NVT} = \frac{V^N}{N! \Lambda^{3N} } \int d (R^*)^{3N} \exp \left[ - \beta U \left( V, (R^*)^{3N} \right) \right] | |||
where: | where: | ||
* <math> \Lambda </math> is the [[de Broglie | * <math> \Lambda </math> is the [[de Broglie wavelength]] (depends on the temperature) | ||
* <math> \beta | * <math> \beta = \frac{1}{k_B T} </math>, with <math> k_B </math> being the [[Boltzmann constant]] | ||
* <math> U </math> is the potential energy, which depends on the coordinates of the particles (and on the interaction model) | * <math> U </math> is the potential energy, which depends on the coordinates of the particles (and on the interaction model) | ||
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* <math> \left( R^*\right)^{3N} </math> represent the 3N position coordinates of the particles (reduced with the system size): i.e. <math> \int d (R^*)^{3N} = 1 </math> | * <math> \left( R^*\right)^{3N} </math> represent the 3N position coordinates of the particles (reduced with the system size): i.e. <math> \int d (R^*)^{3N} = 1 </math> | ||
== | == Free energy and Partition Function == | ||
The [[Helmholtz energy function]] is related to the canonical partition function via: | |||
:<math> A\left(N,V,T \right) = - k_B T \log Q_{NVT} </math> |