Topological effects in molecular systems: an attempt towards a complete theory Original Research Article

In this paper, we concentrate on three subjects which in our opinion constitute important segments in the theory of topological effects in molecular systems: (a) the adiabatic-to-diabatic transformation matrix; (b) the line integral and the ‘quantization’ of the non-adiabatic coupling matrix along a closed path; (c) the inclusion of topological effects in the Born–Oppenheimer approximation.