Low temperature decoherence dynamics in molecular spin systems using the Lindblad master equation

• URL: http://arxiv.org/abs/2408.08768v1
• Date: Fri, 16 Aug 2024 14:23:03 GMT
• Title: Low temperature decoherence dynamics in molecular spin systems using the Lindblad master equation
• Authors: Timothy J. Krogmeier, Anthony W. Schlimgen, Kade Head-Marsden,
• Abstract summary: At low temperatures, irreversible loss occurs due to ensemble dynamics facilitated by electronic-nuclear spin interactions. We develop a combined open quantum systems and electronic structure theory capable of predicting trends in relaxation rates in molecular spin ensembles. Our theory provides a framework to describe irreversible relaxation effects in molecular spin systems with applications in quantum information science, quantum sensing, molecular spintronics, and other spin systems dominated by spin-spin relaxation.
• Score: 0.0
• License: http://creativecommons.org/licenses/by/4.0/
• Abstract: Understanding the spin dynamics in low-temperature settings is crucial to designing and optimizing molecular spin systems for use in emerging quantum technologies. At low temperatures, irreversible loss occurs due to ensemble dynamics facilitated by electronic-nuclear spin interactions. We develop a combined open quantum systems and electronic structure theory capable of predicting trends in relaxation rates in molecular spin ensembles. We use the Gorini-Kossakowski-Sudarshan-Lindblad master equation and explicitly include electronic structure information in the decoherence channels. We apply this theory to several molecular systems pertinent to contemporary quantum technologies. Our theory provides a framework to describe irreversible relaxation effects in molecular spin systems with applications in quantum information science, quantum sensing, molecular spintronics, and other spin systems dominated by spin-spin relaxation.

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