The orientational correlation tensor in ice I, III, IV, V and VI

Abstract

Abstract The orientational correlation tensor g on principal axes has been calculated for ice I, III, IV, V and VI. The calculations take into account molecules up to the third hydrogen-bonded nearest neighbours and the probabilities of their orientations in a dendritic manner. The square of the anisotropic invariant of the tensor g is 0·000 for ice I, 0·9639 for ice III, 0·1603 for ice IV, 0·0695 for ice V and 0·0017 for ice VI. The relation between the dielectric permittivity and g suggests that the anisotropy of orientational polarizability in ice I and VI is small, but for ices III, IV and V is substantial.