Study of distortion effects and clustering of isotopic impurities in solid molecular para-hydrogen by Shadow Wave Functions
Other Condensed Matter
2013-05-29 v1
Abstract
We employed a fully optimized Shadow Wave Function (SWF) in combination with Variational Monte Carlo techniques to investigate the properties of HD molecules and molecular ortho-deuterium (o-D_2) in bulk solid para-hydrogen (p-H_2). Calculations were performed for different concentrations of impurities ranging from about 1% to 25% at the equilibrium density for the para-hydrogen crystal. By computing the excess energy both for clustered and isolated impurities we tried to determine a limit for the solubility of HD and o-D_2 in p-H_2.
Cite
@article{arxiv.cond-mat/0612282,
title = {Study of distortion effects and clustering of isotopic impurities in solid molecular para-hydrogen by Shadow Wave Functions},
author = {Francesco Operetto and Francesco Pederiva},
journal= {arXiv preprint arXiv:cond-mat/0612282},
year = {2013}
}
Comments
4 pages, 4 figures