Wannier functions of cumulene: A tight-binding approach

Exponentially localized Wannier functions of cumulene are calculated from the Bloch functions obtained through a tight-binding approach. Numerical results and discussions are given for the and bands. In the latter case, the single-band Wannier functions are similar to the orbitals of a diatomic molecule, while the two-band Wannier functions resemble hybrid atomic orbitals. Contour plot of an sp-like Wannier function of cumulene.