arXiv · 2408.06554
Application of the shift-invert Lanczos algorithm to a non-equilibrium Green function for transport problems
Abstract
Non-equilibrium Green's function theory and related methods are widely used to describe transport phenomena in many-body systems, but they often require a costly inversion of a large matrix. We show here that the shift-invert Lanczos method can dramatically reduce the computational effort. We apply the method to two test problems, namely a simple model Hamiltonian and to a more realistic Hamiltonian for nuclear fission. For a Hamiltonian of dimension 66103 we find that the computation time is reduced by a factor of 33 compared to the direct calculation of the Green's function.
Explore related subjects
Keep this discovery
K. Uzawa, K. Hagino. 2024-08-13. Application of the shift-invert Lanczos algorithm to a non-equilibrium Green function for transport problems. https://doi.org/10.1103/physreve.110.055302
Cite the original work for its findings. Save a collection to share your selection of sources.