论文标题
分子自旋中局部基础的独特确定
Unique determination of localized basis in molecular spin
论文作者
论文摘要
从物理学的角度来看，局部基础在理解分子旋转中的磁动力学方面起着重要作用。但是，其决心的独特性和严格性受到了有限的关注。在这项研究中，我们提出了适用于非kramer和Kramers分子自旋系统的局部基础的新确定，利用了自旋哈密顿量和分子自旋的主磁轴的时间反转对称性。通过引入这一点，我们建立了确定局部基础的独特而实用的方法，使分子自旋波函数与分子自旋中的“向上”或“向下”磁矩方向的关联。这一发现促进了对磁化动力学的全面解释，并简化了材料分析的理论模型的构建。
Localized basis plays an important role in comprehending the magnetic dynamics in molecular spins from a physics perspective. Nonetheless, the uniqueness and rigor of its determination have received limited attention. In this study, we propose a new determination of the localized basis applicable to both non-Kramers and Kramers molecular spin systems, leveraging the time-reversal symmetry of the spin Hamiltonian and the molecular spin's main magnetic axis. By introducing this, we establish a distinct and practical means of determining the localized basis, enabling the association of a molecular spin wave function with either an "up" or "down" magnetic moment orientation in molecular spins. This finding facilitates a comprehensive interpretation of magnetic dynamics and simplifies the construction of theoretical models for materials analysis.
