Unbiased estimators for spatial distribution functions of classical fluids

Details Unbiased estimators for spatial distribution functions of classical fluids Unbiased estimators for spatial distribution functions of classical fluids

2004-10-14

arxiv.org/abs/cond-mat/0410346v1

J. Chem. Phys. 122, 14114 (2005)

Physics

Condensed Matter

Statistical Mechanics

15 pages, includes 3 color figures

Scientific paper

10.1063/1.1829631

We use a statistical-mechanical identity closely related to the familiar virial theorem, to derive unbiased estimators for spatial distribution functions of classical fluids. In particular, we obtain estimators for both the fluid density rho(r) in the vicinity of a fixed solute, and for the pair correlation g(r) of a homogeneous classical fluid. We illustrate the utility of our estimators with numerical examples, which reveal advantages over traditional histogram-based methods of computing such distributions.

Affiliated with

Also associated with

No associations

Rating

Unbiased estimators for spatial distribution functions of classical fluids 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 Unbiased estimators for spatial distribution functions of classical fluids, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Unbiased estimators for spatial distribution functions of classical fluids will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-663683