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陈浩南 2024-05-08 20:19:56 +08:00
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TODO: 关于加入更多自由度来更好地拟合交换关联泛函的问题,用到了再看吧。
接下来要解决的问题:
* 如何近似表示交换关联能?
* 程序实现上,通常来说是怎样做的?

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# Springer Handbook of Surface Science
## 5. Ab Initio Simulations of Semiconductor and Interfaces
### Abstract
本文不会介绍很多的方法,而会通篇只介绍一种方法,会使用这一种方法来计算各种与表面和界面有关的实际问题。
### 5.1 Overview
Furthermore, implementations of hybrid functionals or Hubbard corrections
allow us to study the effects of a strongly correlated electron gas,
which are difficult to describe in the pure, in principle exact, DFT formulation,
based on a nearly homogeneous electron-gas treatment of the electron density,
without severe trade-offs in computational cost.
### 5.2 Theoretical Framework

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