Qualitative features of the rearrangement of molecular energy spectra from a "wall-crossing" perspective

Abstract

Qualitatively different systems of molecular energy bands are studied on example of a parametric family of effective Hamiltonians describing rotational structure of triply degenerate vibrational state of a cubic symmetry molecule. The modification of band structure under variation of control parameters is associated with a topological invariant "delta-Chern". This invariant is evaluated by using a local Hamiltonian for the control parameter values assigned at the boundary between adjacent parameter domains which correspond to qualitatively different band structures.