Investigation of continuous-time quantum walk by using Krylov subspace-Lanczos algorithm

In papers [Jafarizadehn and Salimi, Ann. Phys. 322, 1005 (2007) and J. Phys. A: Math. Gen. 39, 13295 (2006)], the amplitudes of continuous-time quantum walk (CTQW) on graphs possessing quantum decomposition (QD graphs) have been calculated by a new method based on spectral distribution associated with their adjacency matrix. Here in this paper, it is shown that the CTQW on any arbitrary graph can be investigated by spectral analysis method, simply by using Krylov subspace-Lanczos algorithm to generate orthonormal bases of Hilbert space of quantum walk isomorphic to orthogonal polynomials. Also new type of graphs possessing generalized quantum decomposition (GQD) have been introduced, where this is achieved simply by relaxing some of the constrains imposed on QD graphs and it is shown that both in QD and GQD graphs, the unit vectors of strata are identical with the orthonormal basis produced by Lanczos algorithm. Moreover, it is shown that probability amplitude of observing the walk at a given vertex is proportional to its coefficient in the corresponding unit vector of its stratum, and it can be written in terms of the amplitude of its stratum. The capability of Lanczos-based algorithm for evaluation of CTQW on graphs (GQD or non-QD types), has been tested by calculating the probability amplitudes of quantum walk on some interesting finite (infinite) graph of GQD type and finite (infinite) path graph of non-GQD type, where the asymptotic behavior of the probability amplitudes at the limit of the large number of vertices, are in agreement with those of central limit theorem of [Phys. Rev. E 72, 026113 (2005)]. At the end, some applications of the method such as implementation of quantum search algorithms, calculating the resistance between two nodes in regular networks and applications in solid state and condensed matter physics, have been discussed, where in all of them, the Lanczos algorithm, reduces the Hilbert space to some smaller subspaces and the problem is investigated in the subspace with maximal dimension.