标题: 请问如何理解AIM理论中动能电子密度,势能电子密度和总电子能量密度 [打印本页] 作者Author: 小和尚 时间: 2020-3-22 19:56 标题: 请问如何理解AIM理论中动能电子密度,势能电子密度和总电子能量密度 各位老师,同学,如题,在AIM相关的文献中看到如下一段话:
If the total electron energy density is negative, then the local potential electron energy dominates and the localization of electron density at BCP has a stabilizing impact on the species; when the total electron energy density is positive, then the electron localization has a destabilizing impact on the system.