Effective mass of helium atoms in one-dimensional microporous channels

Quantum Adsorbates: Path Integral Monte Carlo Simulations of Helium in Silicalite

“…Several theoretical and computational approaches have been evolved to understand the complex many-body quantum effects involved in low-temperature He adsorption. The quantum density functional approach has been used extensively to map phase diagrams of He in contact with a variety of adsorbents. , Finite temperature path integral Monte Carlo (PIMC) methods have been used with great success to understand the superfluid transition in bulk 3 He and to model helium adsorption on graphite. ,, Recently Mahanti et al have modeled 3 He ( 4 He) atoms located in adsorption sites using Mott−Hubbard (Bose−Hubbard) models. , To date no finite temperature quantum Monte Carlo simulations of helium in zeolites have been reported though they would appear to be essential for connecting experiments with simple theoretical models.…”

“…17,24,25 Recently Mahanti et al have modeled 3 He ( 4 -He) atoms located in adsorption sites using Mott-Hubbard (Bose-Hubbard) models. 26,27 To date no finite temperature quantum Monte Carlo simulations of helium in zeolites have been reported though they would appear to be essential for connecting experiments with simple theoretical models.…”