Dynamics of the spin-boson model : a comparison of the multiple Davydov D1, D1.5, D2 Ansätze
Accuracies of three multiple Davydov Ansätze, namely, the multi-D1, the multi-D1.5, and the multi-D2 Ansätz, in describing the population dynamics of the spin boson model, are carefully examined by a detailed comparison with numerically exact (multilayer) multiconfiguration time-dependent Hartree me...
| Main Authors: | , , |
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| Other Authors: | |
| Format: | Journal Article |
| Language: | English |
| Published: |
2020
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| Online Access: | https://hdl.handle.net/10356/136766 |
| _version_ | 1826122880758317056 |
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| author | Chen, Lipeng Gelin, Maxim Zhao, Yang |
| author2 | School of Materials Science & Engineering |
| author_facet | School of Materials Science & Engineering Chen, Lipeng Gelin, Maxim Zhao, Yang |
| author_sort | Chen, Lipeng |
| collection | NTU |
| description | Accuracies of three multiple Davydov Ansätze, namely, the multi-D1, the multi-D1.5, and the multi-D2 Ansätz, in describing the population dynamics of the spin boson model, are carefully examined by a detailed comparison with numerically exact (multilayer) multiconfiguration time-dependent Hartree method. The comparison shows that these three Ansätze yield quantitatively accurate results in the adiabatic (slow bath), nonadiabatic (fast bath), as well as the intermediate regime. It is found that with an increase in the energy bias and/or spin-bath coupling, a much larger multiplicity is required for the three Ansätze to capture the correct population dynamics. The multi-D1.5 Ansatz, which combines the accuracy of the multi-D1 Ansatz and the simplicity of the multi-D2 Ansatz, outperforms the multi-D2 Ansatz. The multi-D1.5 Ansatz thus provides a numerically promising alternative to the multi-D1 Ansatz in the accurate simulation of spin-boson dynamics, especially for systems with a large number of vibrational degrees of freedom. |
| first_indexed | 2024-10-01T05:55:48Z |
| format | Journal Article |
| id | ntu-10356/136766 |
| institution | Nanyang Technological University |
| language | English |
| last_indexed | 2024-10-01T05:55:48Z |
| publishDate | 2020 |
| record_format | dspace |
| spelling | ntu-10356/1367662023-07-14T15:48:58Z Dynamics of the spin-boson model : a comparison of the multiple Davydov D1, D1.5, D2 Ansätze Chen, Lipeng Gelin, Maxim Zhao, Yang School of Materials Science & Engineering Engineering::Materials Spin-boson Model Davydov Ansätze Accuracies of three multiple Davydov Ansätze, namely, the multi-D1, the multi-D1.5, and the multi-D2 Ansätz, in describing the population dynamics of the spin boson model, are carefully examined by a detailed comparison with numerically exact (multilayer) multiconfiguration time-dependent Hartree method. The comparison shows that these three Ansätze yield quantitatively accurate results in the adiabatic (slow bath), nonadiabatic (fast bath), as well as the intermediate regime. It is found that with an increase in the energy bias and/or spin-bath coupling, a much larger multiplicity is required for the three Ansätze to capture the correct population dynamics. The multi-D1.5 Ansatz, which combines the accuracy of the multi-D1 Ansatz and the simplicity of the multi-D2 Ansatz, outperforms the multi-D2 Ansatz. The multi-D1.5 Ansatz thus provides a numerically promising alternative to the multi-D1 Ansatz in the accurate simulation of spin-boson dynamics, especially for systems with a large number of vibrational degrees of freedom. MOE (Min. of Education, S’pore) Accepted version 2020-01-23T04:20:58Z 2020-01-23T04:20:58Z 2018 Journal Article Chen, L., Gelin, M., & Zhao, Y. (2018). Dynamics of the spin-boson model : a comparison of the multiple Davydov D1, D1.5, D2 Ansätze. Chemical Physics, 515, 108-118. doi:10.1016/j.chemphys.2018.08.041 0301-0104 https://hdl.handle.net/10356/136766 10.1016/j.chemphys.2018.08.041 2-s2.0-85052735268 515 108 118 en Chemical Physics © 2018 Elsevier B.V. All rights reserved. This paper was published in Chemical Physics and is made available with permission of Elsevier B.V. application/pdf |
| spellingShingle | Engineering::Materials Spin-boson Model Davydov Ansätze Chen, Lipeng Gelin, Maxim Zhao, Yang Dynamics of the spin-boson model : a comparison of the multiple Davydov D1, D1.5, D2 Ansätze |
| title | Dynamics of the spin-boson model : a comparison of the multiple Davydov D1, D1.5, D2 Ansätze |
| title_full | Dynamics of the spin-boson model : a comparison of the multiple Davydov D1, D1.5, D2 Ansätze |
| title_fullStr | Dynamics of the spin-boson model : a comparison of the multiple Davydov D1, D1.5, D2 Ansätze |
| title_full_unstemmed | Dynamics of the spin-boson model : a comparison of the multiple Davydov D1, D1.5, D2 Ansätze |
| title_short | Dynamics of the spin-boson model : a comparison of the multiple Davydov D1, D1.5, D2 Ansätze |
| title_sort | dynamics of the spin boson model a comparison of the multiple davydov d1 d1 5 d2 ansatze |
| topic | Engineering::Materials Spin-boson Model Davydov Ansätze |
| url | https://hdl.handle.net/10356/136766 |
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