Study of distortion effects and clustering of isotopic impurities in solid molecular para-hydrogen by Shadow Wave Functions

Details Study of distortion effects and clustering of isotopic impurities in solid molecular para-hydrogen by Shadow Wave Functions Study of distortion effects and clustering of isotopic impurities in solid molecular para-hydrogen by Shadow Wave Functions

2006-12-12

arxiv.org/abs/cond-mat/0612282v1

Physics

Condensed Matter

Other Condensed Matter

4 pages, 4 figures

Scientific paper

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.

Affiliated with

Also associated with

No associations

Rating

Study of distortion effects and clustering of isotopic impurities in solid molecular para-hydrogen by Shadow Wave Functions does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Study of distortion effects and clustering of isotopic impurities in solid molecular para-hydrogen by Shadow Wave Functions, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Study of distortion effects and clustering of isotopic impurities in solid molecular para-hydrogen by Shadow Wave Functions will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-117466