标题: 如何计算charge density mapping [打印本页] 作者Author: my_aman 时间: 2022-10-11 21:19 标题: 如何计算charge density mapping 本帖最后由 my_aman 于 2022-10-11 21:28 编辑
各位老师，我的一篇文章，二元金属团簇，两种金属原子之间分别带正负电荷，审稿人要做一个charge density mapping。请问如何再Multiwfn实现，有帖子参考吗？审稿人：This could mean that there is a ionic contribution two the bonding, a charge density mapping would be very useful.