自旋动力学模拟的导数
Derivatives of spin dynamics simulations
摘要：
我们报告的衍生物的自旋动力学模拟相对于脉冲序列和自旋系统参数的解析方程。所描述的方法明显比通常采用的有限差分近似更快、更准确和更可靠。所得导数可用于尾旋动力学模拟和实验的拟合、优化、性能评估和稳定性分析。关键词：核磁共振，电子顺磁共振，模拟，分析导数，最佳控制，自旋化学，自由基对。
英文摘要：
We report analytical equations for the derivatives of spin dynamics simulations with respect to pulse sequence and spin system parameters. The methods described are significantly faster, more accurate and more reliable than the finite difference approximations typically employed. The resulting derivatives may be used in fitting, optimization, performance evaluation and stability analysis of spin dynamics simulations and experiments. Keywords: NMR, EPR, simulation, analytical derivatives, optimal control, spin chemistry, radical pair.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
