Particle-number projection in the finite-temperature mean-field approximation

TL;DR

This paper derives exact formulas for particle-number projection in finite-temperature mean-field theories, improving accuracy over saddle-point approximations and applying to nuclei with varying pairing properties.

Contribution

It introduces exact particle-number projection formulas for both HF and HFB approximations, enhancing the precision of finite-temperature nuclear calculations.

Findings

Exact projection formulas improve accuracy over saddle-point methods.

Canonical HFB entropy can become negative at low temperatures.

Exact projection is computationally more efficient than saddle-point derivatives.

Abstract

Calculation of statistical properties of nuclei in a finite-temperature mean-field theory requires projection onto good particle number, since the theory is formulated in the grand canonical ensemble. This projection is usually carried out in a saddle-point approximation. Here we derive formulas for an exact particle-number projection of the finite-temperature mean-field solution. We consider both deformed nuclei, in which the pairing condensate is weak and the Hartree-Fock (HF) approximation is the appropriate mean-field theory, and nuclei with strong pairing condensates, in which the appropriate theory is the Hartree-Fock-Bogoliubov (HFB) approximation, a method that explicitly violates particle-number conservation. For the HFB approximation, we present a general projection formula for a condensate that is time-reversal invariant and a simpler formula for the Bardeen-Cooper-Schrieffer (BCS) limit, which is realized in nuclei with spherical condensates. We apply the method to three heavy nuclei: a typical deformed nucleus $^{162}$Dy, a typical spherical nucleus $^{148}$Sm, and a transitional nucleus $^{150}$Sm in which the pairing condensate is deformed. We compare the results of this projection with results from the saddle-point approximation and exact shell model Monte Carlo calculations. We find that the approximate canonical HF entropy in the particle-number projection decreases monotonically to zero in the limit when the temperature goes to zero. However, in a nucleus with a strong pairing condensate, the approximate canonical HFB entropy in the particle-number projection decreases monotonically to a negative value, reflecting the violation of particle-number conservation. Computationally, the exact particle-number projection is more efficient than calculating the derivatives required in the saddle-point approximation.