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On the impossibility of localised states for molecular rotors with cyclic potentials
Published in Molecular Physics, 2018
Thomas Grohmann, Jörn Manz
Treating localised and symmetry-adapted wave functions within a matrix-vector approach also allows us to use an alternative method to show that localised states are superpositions of symmetry-adapted wave functions. Therefore, we make use of the regular representation , a key concept in the representation theory of groups [67,68]. The characters of this representation are
Within this representation, every -dimensional irreducible representation of the group occurs just times. Hence, for a cyclic group, the regular representation contains all irreducible representations of the group exactly once. Conversely, if the representation that is spanned by the set of all localised states, , contains or is identical to the regular representation , each contorsional symmetry that is possible in does indeed occur. Consequently, if the functions form a basis for a representation that contains , the localised states are superpositions of symmetry-adapted states
.