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Xavier Andrade edited Forces and geometry optimization.tex
over 9 years ago
Commit id: 0f387af57b1e78ce3da20b67a29d93c9148c71b4
deletions | additions
diff --git a/Forces and geometry optimization.tex b/Forces and geometry optimization.tex
index 1a3c664..4ecc3d6 100644
--- a/Forces and geometry optimization.tex
+++ b/Forces and geometry optimization.tex
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\left< \varphi_n \left| \frac{\partial^2 \hat{v}_{\alpha}}{\partial R_{i\alpha} \partial R_{j\alpha}} \right| \varphi_n \right> =
\left[ \left< \frac{\partial^2 \varphi_n}{\partial r_i \partial r_j} \left| \hat{v}_{\alpha} \right| \varphi_n \right> +
\left< \frac{\partial \varphi_n}{\partial r_i} \left| \hat{v}_{\alpha}\right| \frac{\partial \varphi_n}{\partial r_j} \right>\right] + {\rm cc.}\ .
\end{align} \end{equation}