QMC Raw Data for "Friedel oscillations in one-dimensional 4He" for R = 12.0 Å

Raw path integral quantum Monte Carlo data associted with "Friedel oscillations in one-dimensional 4He".  Connected github repository with associated analysis scripts can be found at https://github.com/DelMaestroGroup/papers-code-HourglassNanopores. Path integral software is available: https://github.com/DelMaestroGroup/pimc

Contents

dR_eq_{δR}.tar.gz includes raw QMC data where {δR} = {0.0,2.0,3.0.4.0} Å  is the perturbed radius of the hourglass.  All simulations include a perturbation with width w = 3.0 Å. Temperature is fixed at T = 2.0 K. 

Each .tar.gz contains log and estimator files for the simulations described in the associated paper. 

U_hourglass.npz: generated xy mesh for potential plotting. 

gce-position-dR_eq_{δR}.npz: 3D local densities inside the nanopore

Notes

v4: Updated the title to reflect the fact that all data in this repository corresponds to a single pore radius R = 12.0 Å

v3: This version contains gce-position-dR_eq_{δR}.npz which used to have to be regenerated from raw QMC data.

v2: This version contains an updated dR_eq_2.0.tar.gz (the one in v1 was corrupted).