Application of the shift-invert Lanczos algorithm to a non-equilibrium Green function for transport problems
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arXiv
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| Autori principali: | , |
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| Natura: | Preprint |
| Pubblicazione: |
2024
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| _version_ | 1866915100183494656 |
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| author | Uzawa, K. Hagino, K. |
| author_facet | Uzawa, K. Hagino, K. |
| contents | 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. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2408_06554 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Application of the shift-invert Lanczos algorithm to a non-equilibrium Green function for transport problems Uzawa, K. Hagino, K. Nuclear Theory Mesoscale and Nanoscale Physics Statistical Mechanics Chemical Physics 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. |
| title | Application of the shift-invert Lanczos algorithm to a non-equilibrium Green function for transport problems |
| topic | Nuclear Theory Mesoscale and Nanoscale Physics Statistical Mechanics Chemical Physics |
| url | https://arxiv.org/abs/2408.06554 |