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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。
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接下来要解决的问题:
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* 如何近似表示交换关联能?
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* 程序实现上,通常来说是怎样做的?
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SiC/Springer Handbook of Surface Science.md
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SiC/Springer Handbook of Surface Science.md
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# Springer Handbook of Surface Science
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## 5. Ab Initio Simulations of Semiconductor and Interfaces
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### Abstract
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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。
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### 5.1 Overview
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Furthermore, implementations of hybrid functionals or Hubbard corrections
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allow us to study the effects of a strongly correlated electron gas,
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which are difficult to describe in the pure, in principle exact, DFT formulation,
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based on a nearly homogeneous electron-gas treatment of the electron density,
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without severe trade-offs in computational cost.
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### 5.2 Theoretical Framework
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