From 0933f9db1134cd3ea5d99503d37d8719e4593dd7 Mon Sep 17 00:00:00 2001 From: chn Date: Wed, 8 May 2024 20:19:56 +0800 Subject: [PATCH] add note --- ...al Theory Modeling Mathematical Analysis.md | 3 +++ SiC/Springer Handbook of Surface Science.md | 18 ++++++++++++++++++ SiC/Springer Handbook of Surface Science.pdf | 3 +++ 3 files changed, 24 insertions(+) create mode 100644 SiC/Springer Handbook of Surface Science.md create mode 100644 SiC/Springer Handbook of Surface Science.pdf diff --git a/DFT/Density Functional Theory Modeling Mathematical Analysis.md b/DFT/Density Functional Theory Modeling Mathematical Analysis.md index 5f44c94..fff1d87 100644 --- a/DFT/Density Functional Theory Modeling Mathematical Analysis.md +++ b/DFT/Density Functional Theory Modeling Mathematical Analysis.md @@ -259,3 +259,6 @@ $$ 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? diff --git a/SiC/Springer Handbook of Surface Science.md b/SiC/Springer Handbook of Surface Science.md new file mode 100644 index 0000000..1638416 --- /dev/null +++ b/SiC/Springer Handbook of Surface Science.md @@ -0,0 +1,18 @@ +# 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 + diff --git a/SiC/Springer Handbook of Surface Science.pdf b/SiC/Springer Handbook of Surface Science.pdf new file mode 100644 index 0000000..c43b16a --- /dev/null +++ b/SiC/Springer Handbook of Surface Science.pdf @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0d351b9acf6a5c32b7961837ebccd6b1bc77a89f480975de69c85c3a358f1c7e +size 55948697