Many-body trial wave functions for atomic systems and ground states of small noble gas clusters

Physics – Chemical Physics

Scientific paper

Rate now

  [ 0.00 ] – not rated yet Voters 0   Comments 0

Details

19 pages

Scientific paper

10.1063/1.468076

Clusters of sizes ranging from two to five are studied by variational quantum Monte Carlo techniques. The clusters consist of Ar, Ne and hypothetical lighter (``$1 \over 2$-Ne") atoms. A general form of trial function is developed for which the variational bias is considerably smaller than the statistical error of currently available diffusion Monte Carlo estimates. The trial functions are designed by a careful analysis of long- and short-range behavior as a function of inter-atomic distance; at intermediate distances, on the order of the average nearest neighbor distance, the trial functions are constructed to have considerable variational freedom. A systematic study of the relative importance of $n$-body contributions to the quality of the optimized trial wave function is made with $2\le n \le 5$. Algebraic invariants are employed to deal efficiently with the many-body interactions.

No associations

LandOfFree

Say what you really think

Search LandOfFree.com for scientists and scientific papers. Rate them and share your experience with other people.

Rating

Many-body trial wave functions for atomic systems and ground states of small noble gas clusters 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 Many-body trial wave functions for atomic systems and ground states of small noble gas clusters, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Many-body trial wave functions for atomic systems and ground states of small noble gas clusters will most certainly appreciate the feedback.

Rate now

     

Profile ID: LFWR-SCP-O-673060

  Search
All data on this website is collected from public sources. Our data reflects the most accurate information available at the time of publication.