Dataset for "Limitations of MRSF-TDDFT for Applications in Photochemistry"

This dataset contains all the input and output files for the paper "Limitations of MRSF-TDDFT for Applications in Photochemistry" submitted for publication.本数据集涵盖了投稿待刊的学术论文《多参考自旋翻转时间依赖密度泛函理论（MRSF-TDDFT）在光化学应用中的局限性》的全部输入与输出文件。