Finally we note that in the most extremely biased case (p→∞), the angular distribution (15) becomes a Dirac delta centered at θ = 0 and Eq. (17) reduces to the new, very simple result c = min λ>0 aT + ln[∑in=1pi λT eλri ] , (18) which we have checked that ...
where \(\Psi (\Delta )\,\)is the probability of migration as a function of distance \(\Delta \) and \(\Phi (\theta )\,\)is the probability of migration as a function of direction \(\theta \). This is justified if the migration distance \(\Delta \) is statistically independent ...
pki and pkj are the values of the property k of atom i and j respectively, 𝑝̲𝑘p¯k is the average value of the property k, L is the number of nonzero values in the sum, N is the number of atoms in the molecule, and δ(l,dij) is the Dirac delta function defined in...