By applying an exponential mode analysis to ring polymer molecular dynamics simulations of dense fluid parahydrogen, we find that the dynamical processes establishing the time behavior of the Kubo velocity autocorrelation function display the same nature as those already observed in high-density classical fluids. This result permits us to demonstrate that the exponential mode decomposition is a unique tool to identify which dynamical processes lead to one of the most notable properties of quantum fluids: the large value of the mean kinetic energy per particle and the importance of the zero-temperature quantum effects in determining it.

Dynamical Origin of the Total and Zero-Point Kinetic Energy in a Quantum Fluid

Bafile Ubaldo;Bellissima Stefano;Colognesi Daniele
2019

Abstract

By applying an exponential mode analysis to ring polymer molecular dynamics simulations of dense fluid parahydrogen, we find that the dynamical processes establishing the time behavior of the Kubo velocity autocorrelation function display the same nature as those already observed in high-density classical fluids. This result permits us to demonstrate that the exponential mode decomposition is a unique tool to identify which dynamical processes lead to one of the most notable properties of quantum fluids: the large value of the mean kinetic energy per particle and the importance of the zero-temperature quantum effects in determining it.
2019
Istituto di Fisica Applicata - IFAC
Quantum fluids; Hydrogen; Molecular dynamics
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.14243/393562
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