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Correct mistakes of Appendix A #28

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jeanwsr merged 2 commits into from
Jun 27, 2023
Merged

Correct mistakes of Appendix A #28

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d0bdd74
Update AppendixA.tex
SeptemberMy Jun 27, 2023
27defdb
Update AppendixA.tex
SeptemberMy Jun 27, 2023
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4 changes: 2 additions & 2 deletions Chaps/AppendixA.tex
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Original file line number Diff line number Diff line change
Expand Up @@ -56,7 +56,7 @@ \chapter{$1s$原初高斯函数的积分计算方法}
其中，比例系数$\tilde{K}$为
\begin{align}
\label{A.3}
\tilde{K}=\exp[-\alpha\beta/(\alpha+\beta)\lvert \bo{r}-\bo{R}_A \rvert ^2]
\tilde{K}=\exp[-\alpha\beta/(\alpha+\beta)\lvert \bo{R}_A-\bo{R}_B \rvert ^2]
\end{align}
第三个中心$P$落在中心$A$和$B$的连线上，
\begin{align}
Expand Down Expand Up @@ -155,7 +155,7 @@ \chapter{$1s$原初高斯函数的积分计算方法}
\label{A.16}
(A|-Z_C/r_{1C}|B)=&\int\emph{d}\bo{r}_1\,\tilde{g}_{1s}(\bo{r}_1-\bo{R}_A)
[-Z_C/|\bo{r}_1-\bo{R}_C|^{-1}]\tilde{g}_{1s}(\bo{r}_1-\bo{R}_B) \nonumber\\
=&-Z_C\int\emph{d}\bo{r}_1\,e^{-\alpha\lvert \bo{r}-\bo{R}_A \rvert ^2}|\bo{r}_1-\bo{R}_C|
=&-Z_C\int\emph{d}\bo{r}_1\,e^{-\alpha\lvert \bo{r}-\bo{R}_A \rvert ^2}|\bo{r}_1-\bo{R}_C|^{-1}
e^{-\beta\lvert \bo{r}-\bo{R}_B \rvert ^2}
\end{align}
我们首先把两个高斯函数结合，得到一个中心在$\bo{R}_P$的高斯函数，
Expand Down