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Pairing and thermodynamics properties of finite-systems with fixed number of particles

D. Gambacurta, Denis Lacroix A

Published Jan 1, 2012• 0 citations
Publisher

Abstract

A canonical description of the thermodynamical pairing properties of small systems is achieved by using the Variation After Projection approach at finite temperature. The minimization of the free energy is made by a direct evaluation of the energy and full diagonalization of the entropy. We use the Richardson – pairing model whose exact solution allows to study the reliability of different approaches. We show that the Projection After Variation approach, that is usually performed at zero temperature with rather good success, provides a quite poor description at finite temperature. On the contrary, the Variation After Projection applied at finite temperature provides a perfect reproduction of the exact canonical properties of odd or even systems from very low to high temperature.

DOI
10.1051/epjconf/20123804004

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A canonical description of the thermodynamical pairing properties of small systems is achieved by using the Variation After Projection approach at finite temperature. The minimization of the free energy is made by a direct evaluation of the energy and full diagonalization of the entropy. We use the Richardson – pairing model whose exact solution allows to study the reliability of different approaches. We show that the Projection After Variation approach, that is usually performed at zero temperature with rather good success, provides a quite poor description at finite temperature. On the contrary, the Variation After Projection applied at finite temperature provides a perfect reproduction of the exact canonical properties of odd or even systems from very low to high temperature.
We propose a description of pairing properties in finite systems within the canonical and microcanonical ensembles. The approach is derived by solving the BCS and self-consistent quasiparticle random-phase approximation with the Lipkin-Nogami particle-number projection at zero temperature. The obtained eigenvalues are embedded into the canonical and microcanonical ensembles. The results obtained are found in quite good agreement with the exact solutions of the doubly-folded equidistant multilevel pairing model as well as the experimental data for 56Fe^{56}\mathrm{Fe}56Fe nucleus. The merit of the present approach resides in its simplicity and its application to a wider range of particle number, where the exact solution is impracticable.
Dedicated to Professor Józef Spa lek on the occasion of his 60th birthdayThe two-level version of the Richardson model presents a unique possibility to calculate numerically exactly thermodynamic properties of the system it describes.The point is that all energies and the degeneracies of the many-body system can be easily calculated.The energies are given by the eigenvalues of the small (of order of N × N , where 2N is a number of electrons in the system) tridiagonal matrices.Here we numerically obtain a complete spectrum of the interacting two-level model and calculate the specific heat and the pairing energy of the small system at finite temperatures.
For a small system at a low temperature, thermal fluctuation and quantum effect play important roles in quantum thermodynamics. Starting from micro-canonical ensemble, we generalize the Boltzmann–Gibbs statistical factor from infinite to finite systems, no matter the interactions between particles are considered or not. This generalized factor, similar to Tsallis’s q-form as a power-law distribution, has the restriction of finite energy spectrum and includes the nonextensivities of the small systems. We derive the exact expression for distribution of average particle numbers in the interacting classical and quantum nonextensive systems within a generalized canonical ensemble. This expression in the almost independent or elementary excitation quantum finite systems is similar to the corresponding ones obtained from the conventional grand-canonical ensemble. In the reconstruction for the statistical theory of the small systems, we present the entropy of the equilibrium systems and equation of total thermal energy. When we investigate the thermodynamics for the interacting nonextensive systems, we obtain the system–bath heat exchange and “uncompensated heat” which are in the thermodynamical level and independent on the detail of the system–bath coupling. For ideal finite systems, with different traps and boundary conditions, we calculate some thermodynamic quantities, such as the specific heat, entropy, and equation of state, etc. Particularly at low temperatures for the small systems, we predict some novel behaviors in the quantum thermodynamics, including internal entropy production, heat exchanges between the system and its surroundings and finite-size effects on the free energy.
A systematic comparison is conducted for pairing properties of finite systems at nonzero temperature as predicted by the exact solutions of the pairing problem embedded in three principal statistical ensembles, as well as the unprojected (FTBCS1+++SCQRPA) and Lipkin+++Nogami projected (FTLN1+++SCQRPA) theories that include the quasiparticle number fluctuation and coupling to pair vibrations within the self-consistent quasiparticle random-phase approximation. The numerical calculations are performed for the pairing gap, total energy, heat capacity, entropy, and microcanonical temperature within the doubly folded equidistant multilevel pairing model. The FTLN1+++SCQRPA predictions agree best with the exact grand-canonical results. In general, all approaches clearly show that the superfluid-normal phase transition is smoothed out in finite systems. A novel formula is suggested for extracting the empirical pairing gap in reasonable agreement with the exact canonical results.