Monte Carlo simulations of the electron short-range quantum ordering in Coulomb systems: Reducing the "fermionic sign problem"

Abstract

To account for the interference effects of the Coulomb and exchange interactions of electrons a new path integral representation of the density matrix has been developed in the canonical ensemble at finite temperatures. The developed representation allows to reduce the notorious ``fermionic sign problem'' in the Monte Carlo simulations of fermionic systems. The obtained results for pair distribution functions in plasma and uniform electron gas demonstrate the short-range quantum ordering of electrons associated with exchange excitons in the literature. This fine physical effect was not observed earlier in standard path integral Monte Carlo simulations.

References in corpus (2)

• Path Integral Monte Carlo Simulation of the Warm-Dense Homogeneous Electron Gas
• Fermionic path integral Monte Carlo results for the uniform electron gas at finite temperature

Cited by in corpus (2)

• First principles simulations of dense hydrogen
• Accelerated free energy estimation in ab initio path integral Monte Carlo simulations