Module qsym2::angmom::sh_rotation_3d
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Three-dimensional rotations of spherical harmonics.
Functions§
- Computes the representation matrix $
\mathbf{R}^l$ for a transformation of interest in the basis of real spherical harmonics $Y_{lm}$ ordered by increasing $m$, as defined in Equation 5.8 and given in Equation 8.1 of Ivanic, J. & Ruedenberg, K. Rotation Matrices for Real Spherical Harmonics. Direct Determination by Recursion. The Journal of Physical Chemistry 100, 9099–9100 (1996), DOI. - Returns the representation matrix $
\mathbf{R}$ for a rotation in the basis of the coordinate functions $(y, z, x)$.