University of Minnesota Morris2014
Three-Particle Distribution Functions
Computing g₃ for hard-sphere fluids to improve pair-correlation accuracy
Summary
Extended Shinomoto's hard-sphere model to compute the three-particle correlation function g₃ and used it to improve g₂.
Challenge
Very few prior attempts at g₃ due to geometric complexity of three intersecting excluded volumes.
Contribution
Developed FORTRAN program for g₃ calculation; integrated result into iterative g₂ refinement loop.
Outcome
Achieved g₂ accuracy approaching Percus–Yevick integral equation — the field benchmark.
