Partition function (statistical mechanics)

Summary

In physics, a partition function describes the statistical properties of a system in thermodynamic equilibrium. Partition functions are functions of the thermodynamic state variables, such as the temperature and volume. Most of the aggregate thermodynamic variables of the system, such as the total energy, free energy, entropy, and pressure, can be expressed in terms of the partition function or its derivatives. The partition function is dimensionless. Each partition function is constructed to represent a particular statistical ensemble (which, in turn, corresponds to a particular free energy). The most common statistical ensembles have named partition functions. The canonical partition function applies to a canonical ensemble, in which the system is allowed to exchange heat with the environment at fixed temperature, volume, and number of particles. The grand canonical partition function applies to a grand canonical ensemble, in which the system can exchange both heat and particles

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We construct a non-equilibrium steady state and calculate the corresponding current for a mesoscopic Fermi system in the partition-free setting. To this end we study a small sample coupled to a finite number of semi-infinite leads. Initially, the whole system of quasi-free fermions is in a grand canonical equilibrium state. At t = 0 we turn on a potential bias on the leads and let the system evolve. We study how the charge current behaves in time and how it stabilizes itself around a steady state value, which is given by a Landauer-type formula.

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Ground state properties of large atoms and quantum dots

Rico Rueedi

We investigate the ground state properties of large atoms and quantum dots described by a d-dimensional N-body Hamiltonian of confinement ZV. In atoms, d = 3 and V is the Coulomb interaction; in dots, d = 2 and V is phenomenologically determined. We express the grand-canonical partition function in a path integral approach, and evaluate its expansion in Z-1. The problem can be seen as that of field theory possessing a saddle point. This saddle point results in a mean-field contribution to the energy, while the fluctuations result in the correlation energy. The mean-field contribution to the energy is self-consistently determined by the Hartree potential and contains an exchange term. Its smooth contribution is evaluated by a semiclassical method, with ε = Z-1/d in the role of ℏ, while its oscillating contribution can be related to the periodic orbits in the corresponding classical Hamiltonian. In the case of atoms, the leading order in ε of the correlation energy contains a term in Z ln Z1/3, which is essential in reproducing the behaviour shown by reference values, and a term in Z. While we have evaluated the contribution to the Z-term provided by the leading fluctuation order, the numerical evaluation of the contributions provided by higher order fluctuations remains an open problem. The self-consistent contribution to the energy corresponds to the statistical atom, composed of Thomas-Fermi and its corrections, comprehensively analysed, including oscillations, by Schwinger and Englert. In the case of dots, the leading order in ε of the correlation energy is a universal contribution of order Z, which we obtain in closed form. We then determine the expansion in ε of the smooth contributions down to this correlation order. We apply the approach to dots of quadratic and quartic confinement, including the oscillating contribution in the case of a chaotic quartic confinement.

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