git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@620 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2007-06-20 13:15:18 +00:00
parent 93e86b3574
commit 61057d453d
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\documentstyle[12pt]{article}
\begin{document}
\begin{eqnarray}
U_A &=& - \frac{A}{6} \left[
\frac{2 a_1 a_2}{r^2-\left(a_1+a_2\right)^2}
+ \frac{2 a_1 a_2}{r^2 - \left(a_1 - a_2\right)^2}
+ \mathrm{ln}
\left(
\frac{r^2-\left(a_1+a_2\right)^2}{r^2-\left(a_1-a_2\right)^2}
\right)
\right] \nonumber \\
\nonumber \\
U_R &=& \frac{A}{37800} \frac{\sigma^6}{r}
\left[ \frac{}{} \right. \nonumber \\
&&\qquad \frac{r^2-7r\left(a_1+a_2\right)+6\left(a_1^2+7a_1a_2+a_2^2\right)}
{\left(r-a_1-a_2\right)^7} \nonumber \\
&&\qquad +\frac{r^2+7r\left(a_1+a_2\right)+6\left(a_1^2+7a_1a_2+a_2^2\right)}
{\left(r+a_1+a_2\right)^7} \nonumber \\
&&\qquad -\frac{r^2+7r\left(a_1-a_2\right)+6\left(a_1^2-7a_1a_2+a_2^2\right)}
{\left(r+a_1-a_2\right)^7} \nonumber \\
&&\qquad \left. -\frac{r^2-7r\left(a_1-a_2\right)+6\left(a_1^2-7a_1a_2+a_2^2\right)}
{\left(r-a_1+a_2\right)^7}
\right] \nonumber \\
\nonumber \\
U &=& U_A + U_R, \qquad r < r_c \nonumber
\end{eqnarray}
\end{document}

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\documentstyle[12pt]{article}
\begin{document}
\begin{eqnarray}
U &=& \frac{2 ~ a^3 ~ \sigma^3 ~ A}{9 \left( a^2 - r^2 \right)^3}
\left[ 1 - \frac{\left(5 ~ a^6+45~a^4~r^2+63~a^2~r^4+15~r^6\right) \sigma^6}
{15 \left(a-r\right)^6 \left( a+r \right)^6} \right], ~~ r < r_c \nonumber
\end{eqnarray}
\end{document}

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\documentstyle[12pt]{article}
\begin{document}
\begin{eqnarray}
U &=& \frac{A}{36} \left[ \left( \frac{\sigma}{r} \right)^{12} - \left( \frac{ \sigma}{r} \right)^6 \right], ~~ r < r_c \nonumber
\end{eqnarray}
\end{document}

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\documentclass[12pt]{article}
\begin{document}
\begin{eqnarray*}
E_{LJ} & = & 4 \epsilon \left[ \left(\frac{\sigma}{r}\right)^{12} -
\left(\frac{\sigma}{r}\right)^6 \right] \\
E_{qq} & = & \frac{q_i q_j}{r} \\
E_{qp} & = & \frac{q}{r^3} (p \bullet \vec{r}) \\
E_{pp} & = & \frac{1}{r^3} (\vec{p_i} \bullet \vec{p_j}) -
\frac{3}{r^5} (\vec{p_i} \bullet \vec{r}) (\vec{p_j} \bullet \vec{r})
\end{eqnarray*}
\begin{eqnarray*}
F_{qq} & = & \frac{q_i q_j}{r^3} \vec{r} \\
F_{qp} & = & -\frac{q}{r^3} \vec{p} + \frac{3q}{r^5}
(\vec{p} \bullet \vec{r}) \vec{r} \\
F_{pp} & = & \frac{3}{r^5} (\vec{p_i} \bullet \vec{p_j}) \vec{r} -
\frac{15}{r^7} (\vec{p_i} \bullet \vec{r})
(\vec{p_j} \bullet \vec{r}) \vec{r} +
\frac{3}{r^5} \left[ (\vec{p_j} \bullet \vec{r}) \vec{p_i} +
(\vec{p_i} \bullet \vec{r}) \vec{p_j} \right]
\end{eqnarray*}
\begin{eqnarray*}
T_{pq} = T_{ij} & = & \frac{q_j}{r^3} (\vec{p_i} \times \vec{r}) \\
T_{qp} = T_{ji} & = & - \frac{q_i}{r^3} (\vec{p_j} \times \vec{r}) \\
T_{pp} = T_{ij} & = & -\frac{1}{r^3} (\vec{p_i} \times \vec{p_j}) +
\frac{3}{r^5} (\vec{p_j} \bullet \vec{r})
(\vec{p_i} \times \vec{r}) \\
T_{pp} = T_{ji} & = & -\frac{1}{r^3} (\vec{p_j} \times \vec{p_i}) +
\frac{3}{r^5} (\vec{p_i} \bullet \vec{r})
(\vec{p_j} \times \vec{r}) \\
\end{eqnarray*}
\end{document}