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6 changes: 2 additions & 4 deletions Chaps/Chap2.tex
Original file line number Diff line number Diff line change
Expand Up @@ -1494,15 +1494,13 @@ \subsection{\phrase{极小基 $\mathrm{H}_2$}的矩阵元}
用刚才介绍的方式写出极小基$\rm H_2$的full CI矩阵:
\begin{equation*}
\mathscr{H}=\begin{pmatrix}
\braket{1|h|1}+\braket{2|h|2} +\braket{12|12}-\braket{12|21} &\braket{12|34}-\braket{12|43}\\

\braket{1|h|1}+\braket{2|h|2} +\braket{12|12}-\braket{12|21} &
\braket{12|34}-\braket{12|43}\\
\braket{34|12}-\braket{34|21}&
\braket{3|h|3}+\braket{4|h|4} +\braket{34|34}-\braket{34|43}

\end{pmatrix}
\end{equation*}
并证明其厄密性.

}

\subsection{单、双电子积分的记法}
Expand Down