Algorithms for the Computation of the Eigenvalues of Discrete Semi-Bounded Operators Defined on Quantum Graphs

Abstract

Spectral problems for differential operators defined on quantum graphs are of great scientific interest related to problems in quantum mechanics, computer network modeling, image processing, ranking algorithms, modeling of electrical, and mechanical and acoustic processes, in networks of a diverse nature, in designing nano systems with prescribed properties and in other areas. Theoretical solutions of direct and inverse spectral problems on quantum graphs have been developed, but computational algorithms based on these methods are computationally inefficient. We have not seen any published works that consider examples of numerical solutions of spectral problems on finite connected graphs with a large number of vertices and edges. Therefore, the development of new computationally effective algorithms for numerical solution of spectral problems given on finite connected graphs is urgent. This paper develops a technique for finding the eigenvalues of boundary value problems on finite connected graphs with a required number of vertices and edges. To use this technique, it is necessary to know the eigenvalues and vectors of the eigenfunctions of corresponding unperturbed vector operators which are usually self-adjoint. Finding them manually, if the graph has a large number of vertices and edges, is difficult. This led to writing a package of programs in the mathematical environment Maple to find transcendental equations in the symbolic mode to calculate eigenvalues and find the eigenfunctions of unperturbed boundary value problems. Examples of calculating eigenvalues for a quantum graph which models an anthracene aromatic compound molecule are presented.