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\usepackage[version=3]{mhchem} % this is a great package for formatting chemical reactions |
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\usepackage{url} |
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\usepackage{rotating} |
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– |
|
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%\usepackage[mathlines]{lineno}% Enable numbering of text and display math |
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%\linenumbers\relax % Commence numbering lines |
| 40 |
|
|
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sphere. There are also significant modifications made to make the |
| 221 |
|
forces and torques go smoothly to zero at the cutoff distance. |
| 222 |
|
|
| 224 |
– |
\begin{figure} |
| 225 |
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\includegraphics[width=3in]{SM} |
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\caption{Reversed multipoles are projected onto the surface of the |
| 227 |
– |
cutoff sphere. The forces, torques, and potential are then smoothly |
| 228 |
– |
shifted to zero as the sites leave the cutoff region.} |
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\label{fig:shiftedMultipoles} |
| 230 |
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\end{figure} |
| 223 |
|
|
| 224 |
|
As in the point-charge approach, there is an additional contribution |
| 225 |
|
from self-neutralization of site $i$. The self term for multipoles is |
| 1669 |
|
correct for GSF electrostatics if the subscript $n$ is eliminated. |
| 1670 |
|
|
| 1671 |
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\newpage |
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< |
|
| 1672 |
> |
\bibliographystyle{aiprev} |
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\bibliography{multipole} |
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|
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\end{document} |
