Fermion sign problem and the structure of Lee-Yang zeros: The form of the partition function for indistinguishable particles and its zeros at 0 K
Phys. Rev. E 113, 024115 – Published 11 February, 2026
DOI: https://doi.org/10.1103/m1py-qtt5
Abstract
To simulate indistinguishable particles, recent studies of path-integral molecular dynamics formulated their partition function as a recurrence relation involving a variable , with (−1) for bosons (fermions). Inspired by Lee-Yang phase transition theory, we extend into the complex plane and reformulate as a polynomial in . By analyzing the distribution of the partition function zeros, we gain insights into the analytical properties of indistinguishable particles, particularly regarding the fermion sign problem (FSP). We found that at 0 K, the partition function zeros for particles are located at . This distribution disrupts the analytic continuation of thermodynamic quantities, expressed as functions of and typically performed along , whenever the paths intersect these zeros. Moreover, we highlight the zero at , which induces an extra term in the free energy of the fermionic systems compared to ones at other values. If a path connects this zero to a bosonic system with identical potential energies, it brings a transition resembling a phase transition. These findings provide a fresh perspective on the successes and challenges of emerging FSP studies based on analytic continuation techniques.