Derives irreducible transformation matrices for all operations of G36 and G36(EM) for ethane and implements generator-based symmetry adaptation in TROVE for variational nuclear-motion calculations.
Symmetry Adaptation of the Rotation-Vibration Theory for Linear Molecules
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Transformation Properties under the Operations of the Molecular Symmetry Groups $G_{36}$ and $G_{36}\text{(EM)}$ of Ethane $\text{H}_3\text{CCH}_3$
Derives irreducible transformation matrices for all operations of G36 and G36(EM) for ethane and implements generator-based symmetry adaptation in TROVE for variational nuclear-motion calculations.