Summary of the Properties of a Möbius/Listing band
with T ≥2
- A 2p AO basis distributed evenly along the
cycle can start at any arbitrary point.
- NO NODE/Phase shift is created during a journey of
- The lowest variational (HMO) solution using this basis is
- The HMO π-MOs then occur in degenerate pairs
(benzene pattern!), terminating with a non degenerate
level (for even values of basis functions).
- This degeneracy is only true for a cycle of zero
width/height. The degeneracy will break for a cycle of finite
width/height and finite radius.
- One can distribute two orthogonal 2p AO bases
around the cycle (Model A+B). The two will only be
degenerate for a cycle of zero height and width.
- Degeneracy may also only be true for a cycle bounded in
© H. S. Rzepa 2006