: A Program for Time Evolution With Improved Error Bound
arXiv:2205.15346 · doi:10.1016/j.cpc.2022.108374
Abstract
We present , a program for computing time evolution in a generic quantum system. It relies on well-known Krylov subspace techniques to tackle the problem of multiplying the exponential of a large sparse matrix , where is the Hamiltonian, with an initial vector . The fact that is Hermitian makes it possible to provide an easily computable bound on the accuracy of the Krylov approximation. Apart from effects of numerical roundoff, the resulting a posteriori error bound is rigorous, which represents a crucial novelty as compared to existing software packages such as (R. Sidje, ACM Trans. Math. Softw. 24 (1) 1998). On a standard notebook, allows to compute time evolution with adjustable precision in Hilbert spaces of dimension greater than . Additionally, we provide routines for deriving the matrix from a more abstract representation of the Hamiltonian operator.
18 pages, 4 figures