Reference Data for: „An iterative fragment-scheme for the ACKS2 electronic polarization model: Application to molecular dimers and chains“

The data contains the geometries, electronic structure parameter input (FHI-aims code) and ACKS2 matrix element files for a small test set of aromats to validate the f-ACKS2 technique. Additionally, a python-code minimal working example is given on how to read the matrix elements from file.本数据集包含用于验证f-ACKS2方法的小型芳香族化合物测试集的几何结构文件、电子结构参数输入文件（采用FHI-aims程序的输入格式）以及ACKS2矩阵元文件。此外，还提供了一段Python代码编写的最小可运行示例，用于演示如何从文件中读取矩阵元数据。