Entropy, Vol. 25, Pages 283: A Glimpse into Quantum Triplet Structures in Supercritical 3He (Entropy)

A methodological study of triplet structures in quantum matter is presented. The focus is on helium-3 under supercritical conditions (4 < T/K < 9; 0.022 < ρNÅ-3 < 0.028), for which strong quantum diffraction effects dominate the behavior. Computational results for the triplet instantaneous structures are reported. Path integral Monte Carlo (PIMC) and several closures are utilized to obtain structure information in the real and the Fourier spaces. PIMC involves the fourth-order propagator and the SAPT2 pair interaction potential. The main triplet closures are: AV3, built as the average of the Kirkwood superposition and the Jackson–Feenberg convolution, and the Barrat–Hansen–Pastore variational approach. The results illustrate the main characteristics of the procedures employed by concentrating on the salient equilateral and isosceles features of the computed structures. Finally, the valuable interpretive role of closures in the triplet context is highlighted.