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...
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| Format: | Article |
| Language: | English |
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MDPI AG
2018-04-01
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| Series: | Computation |
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| Online Access: | http://www.mdpi.com/2079-3197/6/2/35 |