Ii. Fedchenia et al., BROWNIAN DYNAMIC SIMULATION OF RESTRICTED MOLECULAR-DIFFUSION - THE SYMMETRICAL AND DEFORMED CONE MODELS, Molecular simulation, 11(6), 1993, pp. 373-393
Three different algorithms are presented for Brownian Dynamics simulat
ions of diffusion on the unit sphere restricted by the intersection wi
th a symmetric or distorted cone. The second rank time correlation fun
ction K-2(t)=Sigma(n)[D-On(2)(theta(t), phi(t))D-(On)2(theta(O), phi(
O))] = [3[n(t)n(O)](2)-1]/2 has been determined. The three algorithms
are compared and discussed with respect to computational efficiency an
d accuracy.