Asymptotic Behavior of Exact Exchange for Slabs: Beyond the Leading Order
Far outside the surface of slabs, the exact exchange (EXX) potential v x falls off as − 1 / z , if z denotes the direction perpendicular to the surface and the slab is localized around z = 0 . Similarly, the EXX energy density e x behaves as − n / ( 2 z...
| 主要作者: | |
|---|---|
| 格式: | 文件 |
| 语言: | English |
| 出版: |
MDPI AG
2018-04-01
|
| 丛编: | Computation |
| 主题: | |
| 在线阅读: | http://www.mdpi.com/2079-3197/6/2/35 |