diff --git a/doc/Eqs/pair_vashishta.jpg b/doc/Eqs/pair_vashishta.jpg new file mode 100644 index 0000000000..ca5f118a87 Binary files /dev/null and b/doc/Eqs/pair_vashishta.jpg differ diff --git a/doc/Eqs/pair_vashishta.tex b/doc/Eqs/pair_vashishta.tex new file mode 100644 index 0000000000..b65056a254 --- /dev/null +++ b/doc/Eqs/pair_vashishta.tex @@ -0,0 +1,22 @@ +\documentclass[12pt]{article} + +\begin{document} + +\begin{eqnarray*} + U & = & \sum_i^N \sum_{j > i}^N U_{ij}^{(2)} (r_{ij}) + + \sum_i^N \sum_{j \neq i}^N \sum_{k > j, k \neq i}^N + U_{ijk}^{(3)} (r_{ij}, r_{ik}, \theta_{ijk}) + \\ + U_{ij}^{(2)} (r) & = & \frac{H_{ij}}{r^{\eta_{ij}}} + + \frac{Z_i Z_j}{r}\exp(-r/\lambda_{1,ij}) + - \frac{D_{ij}}{r^4}\exp(-r/\lambda_{4,ij}) + - \frac{W_{ij}}{r^6}, r < r_{c,{ij}} + \\ + U_{ijk}^{(3)}(r_{ij},r_{ik},\theta_{ijk}) & = & B_{ijk} + \frac{\left[ \cos \theta_{ijk} - \cos \theta_{0ijk} \right]^2} + {1+C_{ijk}\left[ \cos \theta_{ijk} - \cos \theta_{0ijk} \right]^2} \times \\ +& & \exp \left( \frac{\gamma_{ij}}{r_{ij} - r_{0,ij}} \right) + \exp \left( \frac{\gamma_{ik}}{r_{ik} - r_{0,ik}} \right), r_{ij} < r_{0,ij}, r_{ik} < r_{0,ik} +\end{eqnarray*} + +\end{document}