Data and code underlying chapters 3 and 7 of the PhD thesis: extended treatment of the surface in adatom simulations

<strong>Chapter 3:</strong> <strong>Yu-Shiba-Rusinov chain dispersion.</strong>Notebooks to generate proof of concept results for computing the bandstructure of Yu-Shiba-Rusinov chains based on the theory of short junctions. Specific models considered are:Single orbital s-wave superconductor combined with a ferromagnetically ordered classical spin chainSingle orbital s-wave superconductor in a non-orthogonal basis combined with a ferromagnetically ordered classical spin chains-wave superconductor with s and p orbitals and finite spin orbit coupling combined with a ferromagnetically ordered classical spin chain <strong>Chapter 7: Outlook on spin chain decoherence</strong>Scripts to evaluate the dynamics and T2 time of exchange coupled spin chains in STM weakly coupled to a metal spin bathIt is possible to evaluate inelastic channels separately from the elastic channels.Data contains the T2 time for various chain lengths, at various temperatures due to the different types of decoherence channels.

### 第3章：俞-柴巴-鲁西诺夫（Yu-Shiba-Rusinov）链能带色散
本章节提供基于短结理论计算俞-柴巴-鲁西诺夫链能带结构的概念验证结果所需的Notebook代码。本次研究考虑的具体模型包括：
1. 单轨道s波超导体（s-wave superconductor）与铁磁有序经典自旋链的耦合体系
2. 非正交基矢下单轨道s波超导体与铁磁有序经典自旋链的耦合体系
3. 包含s、p轨道且存在有限自旋轨道耦合（spin orbit coupling）的s波超导体与铁磁有序经典自旋链的耦合体系

### 第7章：自旋链退相干研究展望
本章节提供用于计算与金属自旋库弱耦合的扫描隧道显微镜（STM, Scanning Tunneling Microscope）体系中交换耦合自旋链的动力学特性与T2弛豫时间（T2 time）的脚本代码。支持将非弹性散射通道与弹性散射通道分别进行计算与分析。数据集包含不同退相干通道类型下，多种链长与温度条件下的T2弛豫时间数据。