Well, this is a friendly introductory tutorial of quantum chemistry especially for novices interested in this field.
这是一个友好的量子化学入门教程,特别是对这个领域感兴趣的新手来讲。
Each folder has a document and a corresponding PDF file, which provide readers with some tasks about calculating molecular properties, which are finished with Gaussian 16, ORCA 5.0.0 and BDF(now). I think that each task has been solved clearly and could be understood by readers.
每个文件夹都包含一个doc文档和相应的PDF文件,它们给读者提供了一些计算分子性质的任务,后者被用Gaussian16、ORCA5.0.0及BDF完成。我认为每个任务都得到了清楚的解决,可以被读者理解。
These questions were put forward by my teacher, Professor Guo Yang, and solved with the collective wisdom of other students in my group, including Yang Huijuan, Wang Ru, Wang Xingwen and Wang Qingpeng. In addition, I also thank Song Yangyang for her guidance.
这些题目是由我的授课老师郭阳教授提出的,它们的解决汇聚了组内其他同学的集体智慧,他们有杨惠娟、王茹、王星雯、王庆鹏,此外还感谢宋阳阳学姐的指导。
If you have any questions about the solution of these exercises, it's likely for you to connect directly with me via my email, [email protected].
若你对于这些练习的解答有任何问题,可以直接通过我的邮箱[email protected]联系我。