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Physical Review C

Thermal and microcanonical treatments of a pairing Hamiltonian

R. Rossignoli

Published Sep 1, 1996• 11 citations
Publisher

Abstract

The validity of microscopic thermal treatments in comparison with microcanonical results is analyzed for the case of a pairing interaction. The approximate evaluation of microcanonical averages by means of saddle point and moment expansion methods is also examined. Results are shown for a 20-level model, where exact microcanonical averages and level densities are compared with exact thermal results and with those given by the BCS and static path approximations. \textcopyright{} 1996 The American Physical Society.

DOI
10.1103/physrevc.54.1230

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The validity of microscopic thermal treatments in comparison with microcanonical results is analyzed for the case of a pairing interaction. The approximate evaluation of microcanonical averages by means of saddle point and moment expansion methods is also examined. Results are shown for a 20-level model, where exact microcanonical averages and level densities are compared with exact thermal results and with those given by the BCS and static path approximations. \textcopyright{} 1996 The American Physical Society.
The exact solution of the reduced pairing Hamiltonian is compared to the BCS mean field approximation for low particle numbers in finite systems. A combination of two different methods for solving the Richardson equations is presented. One of the methods originally intended to be solved analytically is instead adapted to a numerical scheme. The comparison includes the pairing gap parameter, as approximated by the three-point formula in the exact solution, and a microcanonical investigation of systems with levels of varying degeneracies. The gaps as calculated within the two approaches is found to deviate more and more from each other with increasing pairing strength. However testing the three-point-formula with the BCS approximation suggests that this might be due to the formula itself. Furthermore the BCS approximation, when re-evaluating the gap for each excitation, does a very good job at reproducing the energy spectra as obtained for the Richardson solution of the highly excited states where the pairing effects are small. However for the low lying excitations the assessment is not so good. When keeping the gap constant for all excitations the excitation spectra of the BCS approximation broaden a lot more than that of the exact method. This procedure gives unreasonable results for the systems and low particle numbers considered.
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.
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.
BCS superconductivity is explained by a simple Hamiltonian describing an attractive pairing interaction between pairs of electrons. The Hamiltonian may be treated using a mean-field method, which is adequate to study equilibrium properties and a variety of nonequilibrium effects. Nevertheless, in certain nonequilibrium situations, even in a macroscopic rather than a microscopic superconductor, the application of mean-field theory may not be valid. In such cases, one may resort to the full solution of the Hamiltonian, as given by Richardson in the 1960s. The relevance of Richardson's solution to macroscopic nonequilibrium superconductors was pointed out recently based on the existence of quantum instabilities out of equilibrium. It is then of interest to obtain analytical expressions for expectation values between exact eigenvalues of the pairing Hamiltonian within the Richardson approach for macroscopic systems. We undertake this task in the current paper. It should be noted that Richardson's approach yields the full set of eigenvalues of the Hamiltonian, while BCS theory yields only a subset. The results obtained here, then, generalize the familiar BCS expressions (e.g., for the electron occupation or pairing correlations) to cases where the spectrum of excitations diverges from BCS theory (e.g., in cases where the spectrum exhibits multiple gaps).
We generalize the microcanonical algorithm developed by Creutz et al. (1986), and make a detailed comparison with the exact solution in the case of a two-dimensional Ising model at finite volume. We present a new numerical method to compute the temperature in the microcanonical ensemble. This allows us to define a `thermalization` criterion to estimate the point where the differences between canonical and microcanonical results are the smallest. This criterion is shown to work well in the case of the two-dimensional Ising system.