Performance of wave function and Green's function methods for non-equilibrium many-body dynamics
Theoretical descriptions of the non-equilibrium dynamics of quantum many-body systems essentially employ either (i) explicit treatments, relying on the truncation of the expansion of the many-body wave function, (ii) compressed representations of the many-body wave function, or (iii) evolution of an...
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| Format: | Article |
| Language: | English |
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American Physical Society
2025-04-01
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| Series: | Physical Review Research |
| Online Access: | http://doi.org/10.1103/PhysRevResearch.7.023002 |
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| author | Cian C. Reeves Gaurav Harsha Avijit Shee Yuanran Zhu Thomas Blommel Chao Yang K. Birgitta Whaley Dominika Zgid Vojtěch Vlček |
| author_facet | Cian C. Reeves Gaurav Harsha Avijit Shee Yuanran Zhu Thomas Blommel Chao Yang K. Birgitta Whaley Dominika Zgid Vojtěch Vlček |
| author_sort | Cian C. Reeves |
| collection | DOAJ |
| description | Theoretical descriptions of the non-equilibrium dynamics of quantum many-body systems essentially employ either (i) explicit treatments, relying on the truncation of the expansion of the many-body wave function, (ii) compressed representations of the many-body wave function, or (iii) evolution of an effective (downfolded) representation through Green's functions. In this work, we select representative cases of each of the methods and address how these complementary approaches capture the dynamics driven by intense field perturbations to non-equilibrium states. Under strong driving, the systems are characterized by strong entanglement of the single-particle density matrix and natural populations approaching those of a strongly interacting equilibrium system. We generate a representative set of results that are numerically exact and form a basis for a critical comparison of the distinct families of methods. We demonstrate that the compressed formulation based on similarity-transformed Hamiltonians (coupled-cluster approach) is practically exact in weak fields and, hence, weakly or moderately correlated systems. Coupled cluster, however, struggles for strong driving fields, under which the system exhibits strongly correlated behavior, as measured by the von Neumann entropy of the single-particle density matrix. The dynamics predicted by Green's functions in the (widely popular) GW approximation are less accurate, but improve significantly upon the mean-field results in the strongly driven regime. |
| format | Article |
| id | doaj-art-064bde9f07ce4f7ea0f08bcd6d758401 |
| institution | OA Journals |
| issn | 2643-1564 |
| language | English |
| publishDate | 2025-04-01 |
| publisher | American Physical Society |
| record_format | Article |
| series | Physical Review Research |
| spelling | doaj-art-064bde9f07ce4f7ea0f08bcd6d7584012025-08-20T01:54:58ZengAmerican Physical SocietyPhysical Review Research2643-15642025-04-017202300210.1103/PhysRevResearch.7.023002Performance of wave function and Green's function methods for non-equilibrium many-body dynamicsCian C. ReevesGaurav HarshaAvijit SheeYuanran ZhuThomas BlommelChao YangK. Birgitta WhaleyDominika ZgidVojtěch VlčekTheoretical descriptions of the non-equilibrium dynamics of quantum many-body systems essentially employ either (i) explicit treatments, relying on the truncation of the expansion of the many-body wave function, (ii) compressed representations of the many-body wave function, or (iii) evolution of an effective (downfolded) representation through Green's functions. In this work, we select representative cases of each of the methods and address how these complementary approaches capture the dynamics driven by intense field perturbations to non-equilibrium states. Under strong driving, the systems are characterized by strong entanglement of the single-particle density matrix and natural populations approaching those of a strongly interacting equilibrium system. We generate a representative set of results that are numerically exact and form a basis for a critical comparison of the distinct families of methods. We demonstrate that the compressed formulation based on similarity-transformed Hamiltonians (coupled-cluster approach) is practically exact in weak fields and, hence, weakly or moderately correlated systems. Coupled cluster, however, struggles for strong driving fields, under which the system exhibits strongly correlated behavior, as measured by the von Neumann entropy of the single-particle density matrix. The dynamics predicted by Green's functions in the (widely popular) GW approximation are less accurate, but improve significantly upon the mean-field results in the strongly driven regime.http://doi.org/10.1103/PhysRevResearch.7.023002 |
| spellingShingle | Cian C. Reeves Gaurav Harsha Avijit Shee Yuanran Zhu Thomas Blommel Chao Yang K. Birgitta Whaley Dominika Zgid Vojtěch Vlček Performance of wave function and Green's function methods for non-equilibrium many-body dynamics Physical Review Research |
| title | Performance of wave function and Green's function methods for non-equilibrium many-body dynamics |
| title_full | Performance of wave function and Green's function methods for non-equilibrium many-body dynamics |
| title_fullStr | Performance of wave function and Green's function methods for non-equilibrium many-body dynamics |
| title_full_unstemmed | Performance of wave function and Green's function methods for non-equilibrium many-body dynamics |
| title_short | Performance of wave function and Green's function methods for non-equilibrium many-body dynamics |
| title_sort | performance of wave function and green s function methods for non equilibrium many body dynamics |
| url | http://doi.org/10.1103/PhysRevResearch.7.023002 |
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