Question

Radial Distribution Function for a Hard Sphere Gas in the Percus-Yevick Approximation - Is There a Quick Way to Evaluate it Numerically?

Answer 1

I know that for a one-component hard-sphere gas, there is an analytic solution in the k⃗ -space (PRA, 5, 939). I know that to obtain the correct solution in r-space I just need to do something like a Fast Fourier Transform. The problem is that in doing so I can only obtain values for the radial function on a grid, and problem arises as to the magnitude of errors on the grid values, the errors in interpolating between the grid values, and so on.

Answer 2

Answer:

there is an analytic solution in the k⃗ -space (PRA, 5, 939).

• the correct solution in r-space I just need to do something like a Fast Fourier Transform.
• The problem is that in doing so I can only obtain values for the radial function on a grid,