Quantum electrodynamic description of the neutral hydrogen molecule ionization
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arXiv
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| Format: | Preprint |
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2025
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| _version_ | 1866917106580193280 |
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| author | Miao, Hui-hui |
| author_facet | Miao, Hui-hui |
| contents | The ionization dynamics of a hydrogen molecule, serving as a fundamental benchmark in quantum chemistry, is investigated within a comprehensive framework combining quantum electrodynamics and the Lindblad master equation. This approach enables a first-principles description of light--matter interactions while accounting for dissipative processes and external particle influx. We systematically explore the system's evolution across three distinct regimes: closed, dissipative open, and influx-driven open quantum systems. Our results reveal a universal tendency towards the formation of the neutral hydrogen molecule ($|\rm{H}_2\rangle$) across all configurations. The dissipation strengths for photons ($γ_Ω$), electrons ($γ_e$), and phonons ($γ_ω$) are identified as critical control parameters, with $γ_Ω$ significantly accelerating system stabilization. Furthermore, the introduction of particle influx ($μ_k$) leads to a complex redistribution of energy, notably populating the atomic state ($|\rm{H},\rm{H}\rangle$). The ionization pathway is exquisitely sensitive to the initial quantum state, dictated by the composition and number of photons, which governs the accessible spin-selective excitation channels. This is conclusively demonstrated in a model with an embedded anode, where the maximum ionization probability is fundamentally constrained to $\frac{3}{4}$ by orbital hybridization. This study provides a unified theoretical foundation for quantum-controlled chemistry, with direct implications for future experiments in cavity QED and quantum information processing. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2511_21430 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Quantum electrodynamic description of the neutral hydrogen molecule ionization Miao, Hui-hui Quantum Physics The ionization dynamics of a hydrogen molecule, serving as a fundamental benchmark in quantum chemistry, is investigated within a comprehensive framework combining quantum electrodynamics and the Lindblad master equation. This approach enables a first-principles description of light--matter interactions while accounting for dissipative processes and external particle influx. We systematically explore the system's evolution across three distinct regimes: closed, dissipative open, and influx-driven open quantum systems. Our results reveal a universal tendency towards the formation of the neutral hydrogen molecule ($|\rm{H}_2\rangle$) across all configurations. The dissipation strengths for photons ($γ_Ω$), electrons ($γ_e$), and phonons ($γ_ω$) are identified as critical control parameters, with $γ_Ω$ significantly accelerating system stabilization. Furthermore, the introduction of particle influx ($μ_k$) leads to a complex redistribution of energy, notably populating the atomic state ($|\rm{H},\rm{H}\rangle$). The ionization pathway is exquisitely sensitive to the initial quantum state, dictated by the composition and number of photons, which governs the accessible spin-selective excitation channels. This is conclusively demonstrated in a model with an embedded anode, where the maximum ionization probability is fundamentally constrained to $\frac{3}{4}$ by orbital hybridization. This study provides a unified theoretical foundation for quantum-controlled chemistry, with direct implications for future experiments in cavity QED and quantum information processing. |
| title | Quantum electrodynamic description of the neutral hydrogen molecule ionization |
| topic | Quantum Physics |
| url | https://arxiv.org/abs/2511.21430 |