git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4650 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2010-09-01 19:54:18 +00:00
parent 73573bf237
commit d6a892f246
12 changed files with 54 additions and 0 deletions

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\documentclass[12pt]{article}
\begin{document}
$$
E_{KE} = \frac{\hbar^2 }{{m_{e} }}\sum\limits_i {\frac{3}{{2s_i^2 }}}
$$
\end{document}

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\documentclass[12pt]{article}
\begin{document}
$$
E_{NN} = \frac{1}{{4\pi \varepsilon _0 }}\sum\limits_{i < j} {\frac{{Z_i Z_j }}{{R_{ij} }}}
$$
\end{document}

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\documentclass[12pt]{article}
\begin{document}
$$
E_{Ne} = - \frac{1}{{4\pi \varepsilon _0 }}\sum\limits_{i,j} {\frac{{Z_i }}{{R_{ij} }}Erf\left( {\frac{{\sqrt 2 R_{ij} }}{{s_j }}} \right)}
$$
\end{document}

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\documentclass[12pt]{article}
\begin{document}
$$
E_{Pauli} = \sum\limits_{\sigma _i = \sigma _j } {E\left( { \uparrow \uparrow } \right)_{ij}} + \sum\limits_{\sigma _i \ne \sigma _j } {E\left( { \uparrow \downarrow } \right)_{ij}}
$$
\end{document}

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\documentclass[12pt]{article}
\begin{document}
$$
E_{ee} = \frac{1}{{4\pi \varepsilon _0 }}\sum\limits_{i < j} {\frac{1}{{r_{ij} }}Erf\left( {\frac{{\sqrt 2 r_{ij} }}{{\sqrt {s_i^2 + s_j^2 } }}} \right)}
$$
\end{document}

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\documentclass[12pt]{article}
\begin{document}
$$
U\left(R,r,s\right) = E_{NN} \left( R \right) + E_{Ne} \left( {R,r,s} \right) + E_{ee} \left( {r,s} \right) + E_{KE} \left( {r,s} \right) + E_{PR} \left( { \uparrow \downarrow ,S} \right)
$$
\end{document}