Numerically-Exact Quantum-Simulation Approach for Two-Dimensional Spectroscopy of Open Quantum Systems
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| Main Authors: | , , , , , |
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| Format: | Preprint |
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2026
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| _version_ | 1866917444198596608 |
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| author | Yao, Yi-Xuan Zhang, Hao-Yue Liu, Cheng-Ge Chen, Rong-Hang Ai, Qing Nori, Franco |
| author_facet | Yao, Yi-Xuan Zhang, Hao-Yue Liu, Cheng-Ge Chen, Rong-Hang Ai, Qing Nori, Franco |
| contents | Two-dimensional spectroscopy (2DS) is a powerful ultrafast technique for probing electronic and vibrational dynamics in complex microscopic systems. Extracting detailed information on system dynamics and system-bath interactions from 2DS experiments requires precise theoretical simulations for comparison, which motivates the development of numerically-exact and computationally-efficient simulation approaches. Here, we propose a quantum-simulation approach for 2DS based on the bath-engineering technique (BET), which has been successfully employed in quantum simulations of open quantum dynamics. To demonstrate our approach, we first simulate the 2DS of a driven four-level system in chiral enantiodetection, where we also assess the applicability of the center-line slope (CLS) method for extracting time correlation functions (TCFs) from the 2DS. We further apply our approach to the 2DS of ${\rm Rh(CO)_2C_5H_7O_2}$ (RDC) dissolved in chloroform, where the results reproduce the main spectral patterns observed in experiments. Our work provides a numerically-exact and efficient framework for simulating 2DS, and can offer additional insight into the dynamics of open quantum systems. |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2604_25753 |
| institution | arXiv |
| publishDate | 2026 |
| record_format | arxiv |
| spellingShingle | Numerically-Exact Quantum-Simulation Approach for Two-Dimensional Spectroscopy of Open Quantum Systems Yao, Yi-Xuan Zhang, Hao-Yue Liu, Cheng-Ge Chen, Rong-Hang Ai, Qing Nori, Franco Quantum Physics Optics Two-dimensional spectroscopy (2DS) is a powerful ultrafast technique for probing electronic and vibrational dynamics in complex microscopic systems. Extracting detailed information on system dynamics and system-bath interactions from 2DS experiments requires precise theoretical simulations for comparison, which motivates the development of numerically-exact and computationally-efficient simulation approaches. Here, we propose a quantum-simulation approach for 2DS based on the bath-engineering technique (BET), which has been successfully employed in quantum simulations of open quantum dynamics. To demonstrate our approach, we first simulate the 2DS of a driven four-level system in chiral enantiodetection, where we also assess the applicability of the center-line slope (CLS) method for extracting time correlation functions (TCFs) from the 2DS. We further apply our approach to the 2DS of ${\rm Rh(CO)_2C_5H_7O_2}$ (RDC) dissolved in chloroform, where the results reproduce the main spectral patterns observed in experiments. Our work provides a numerically-exact and efficient framework for simulating 2DS, and can offer additional insight into the dynamics of open quantum systems. |
| title | Numerically-Exact Quantum-Simulation Approach for Two-Dimensional Spectroscopy of Open Quantum Systems |
| topic | Quantum Physics Optics |
| url | https://arxiv.org/abs/2604.25753 |