Hamiltonian for the problem on the ground and excited electron–nuclear states of nano-objects of finite size with periodic structure: Oligomers

Аннотация

A Hamiltonian has been proposed to study ground and excited states of nano-objects with a periodic structure, which makes it possible to find a general solution as a linear combination of basis functions in the form of normal waves. Terms that allow obtaining easily the solution with varying degrees of accuracy are explicitly defined. The method is suitable for the analysis of both finite and infinitely extended objects, including segments with a periodic structure.