Journal of Physical Chemistry, Vol.100, No.15, 6342-6347, 1996
Rotation Matrices for Real Spherical-Harmonics - Direct Determination by Recursion
A recurrence procedure is derived for constructing the rotation matrices between real spherical harmonics directly in terms of the elements of the original 3x3 rotation matrix without the intermediary of any parameters. The procedure furnishes a simple, efficient, and general method for the formal as well as numerical evaluation of these representation matrices.