Path-integral and effective potential Monte Carlo simulations of liquid nitrogen, hard-sphere and Lennard-Jones potentials

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Abstract
The quantum features in liquid nitrogen at T = 66 K are studied. Quantum Monte Carlo runs have been performed using different one-centre interaction potentials and strategies. Hard-sphere, Lennard-Jones and quantum effective potential (Feynman-Hibbs, Wigner-Kirkwood) models are the basic ingredients for carrying out calculations, which are classical, semiclassical and of path-integral nature. Relevant thermodynamic and structural data are presented. The results show how the magnitude of hard-sphere quantum effect is dramatically reduced in using smooth potentials. The Wigner-Kirkwood fluid is, the closest to the ‘exact’ path-integral fluid compared with other effective potential models. The results obtained from path-integral MC account for the available experimental information.