8000 fix: correct wording in section 3.5.3 by Chuying6 · Pull Request #82 · nominhanggai/szaboqc · GitHub
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fix: correct wording in section 3.5.3 #82

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jeanwsr merged 1 commit into from
Sep 8, 2026
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fix: correct wording in section 3.5.3 #82

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2 changes: 1 addition & 1 deletion Chaps/Chap3.tex
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Expand Up @@ -3147,7 +3147,7 @@ \subsection{STO-3G下的HeH$^+$: SCF计算}
分子环境中的$\mathrm{H}$有标准STO-3G指数$\zeta_2=1.24$,
这就是在\phrase{极小基 $\hd$}中使用的值.
而$\mathrm{He}$没有这样的标准STO-3G指数.
分子计算中选择指数时场会用同一基组计算单个原子的能量,
分子计算中选择指数时常会用同一基组计算单个原子的能量,
指数选为对应能量最小的那个.
这种指数有时叫作``最优原子''指数.
对氢来说最优原子指数为1.0.
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