Sophie

Sophie

distrib > Mandriva > 9.1 > ppc > media > contrib > by-pkgid > 263386785cefb9ae5d63b926d214d809 > files > 1036

mpqc-2.1.2-4mdk.ppc.rpm

\form#0:$\mathrm{CH}_3\mathrm{NH}_2$
\form#1:$C_1$
\form#2:$m_{ij}$
\form#3:$a_i$
\form#4:$b_j$
\form#5:$T_d$
\form#6:$I_h$
\form#7:$i$
\form#8:$0 \leq i < n$
\form#9:$2 (i-1) + 1$
\form#10:$2 i$
\form#11:$(i-1)\times 2 + 1$
\form#12:$i\times 2$
\form#13:$B$
\form#14:$\kappa_2$
\form#15:$C_{2v}$
\form#16:$a$
\form#17:$b$
\form#18:$\bar{r}_a$
\form#19:$\bar{r}_b$
\form#20:$r$
\form#21:\[ r = \| \bar{r}_a - \bar{r}_b \| \]
\form#22:$c$
\form#23:$\bar{r}_c$
\form#24:$\theta$
\form#25:\[ \bar{u}_{ab} = \frac{\bar{r}_a - \bar{r}_b}{\| \bar{r}_a - \bar{r}_b \|}\]
\form#26:\[ \bar{u}_{cb} = \frac{\bar{r}_c - \bar{r}_b}{\| \bar{r}_c - \bar{r}_b \|}\]
\form#27:\[ \theta = \arccos ( \bar{u}_{ab} \cdot \bar{u}_{cb} ) \]
\form#28:$d$
\form#29:$\bar{r}_d$
\form#30:$\tau$
\form#31:\[ \bar{u}_{cd} = \frac{\bar{r}_c - \bar{r}_d}{\| \bar{r}_c - \bar{r}_b \|}\]
\form#32:\[ \bar{n}_{abc}= \frac{\bar{u}_{ab} \times \bar{u}_{cb}} {\| \bar{u}_{ab} \times \bar{u}_{cb} \|} \]
\form#33:\[ \bar{n}_{bcd}= \frac{\bar{u}_{cd} \times \bar{u}_{bc}} {\| \bar{u}_{cd} \times \bar{u}_{bc} \|} \]
\form#34:\[ s = \left\{ \begin{array}{ll} 1 & \mbox{if $(\bar{n}_{abc}\times\bar{n}_{bcd}) \cdot \bar{u}_{cb} > 0;$} \\ -1 & \mbox{otherwise} \end{array} \right. \]
\form#35:\[ \tau = s \arccos ( - \bar{n}_{abc} \cdot \bar{n}_{bcd} ) \]
\form#36:$\tau_s$
\form#37:\[ \bar{n}_{abc}= \frac{\bar{u}_{ab} \times \bar{u}_{cb}} {\| \bar{u}_{ab} \times \bar{u}_{cb} \|}\]
\form#38:\[ \bar{n}_{bcd}= \frac{\bar{u}_{cd} \times \bar{u}_{cb}} {\| \bar{u}_{cd} \times \bar{u}_{cb} \|}\]
\form#39:\[ s = \left\{ \begin{array}{ll} -1 & \mbox{if $(\bar{n}_{abc}\times\bar{n}_{bcd}) \cdot \bar{u}_{cb} > 0$} \\ 1 & \mbox{otherwise} \end{array} \right.\]
\form#40:\[ \tau_s = s \sqrt{\left(1-(\bar{u}_{ab} \cdot \bar{u}_{cb}\right)^2) \left(1-(\bar{u}_{cb} \cdot \bar{u}_{cd}\right)^2)} \arccos ( - \bar{n}_{abc} \cdot \bar{n}_{bcd} )\]
\form#41:$\bar{u}$
\form#42:$\bar{r}_a - \bar{r}_b$
\form#43:$\bar{r}_b - \bar{r}_c$
\form#44:$\theta_i$
\form#45:\[ \bar{u}_{cb} = \frac{\bar{r}_b - \bar{r}_c}{\| \bar{r}_c - \bar{r}_b \|}\]
\form#46:\[ \theta_i = \pi - \arccos ( \bar{u}_{ab} \cdot \bar{u} ) - \arccos ( \bar{u}_{cb} \cdot \bar{u} )\]
\form#47:$\theta_o$
\form#48:\[ \bar{n} = \frac{\bar{u} \times \bar{u}_{ab}} {\| \bar{u} \times \bar{u}_{ab} \|}\]
\form#49:\[ \theta_o = \pi - \arccos ( \bar{u}_{ab} \cdot \bar{n} ) - \arccos ( \bar{u}_{cb} \cdot \bar{n} )\]
\form#50:$n_0$
\form#51:$n_1$
\form#52:$n_2$
\form#53:$x^d$
\form#54:$x$
\form#55:$O(n_\mathrm{basis}^5)$
\form#56:$n_\mathrm{socc}$
\form#57:$m$
\form#58:$n_\mathrm{socc} = m - 1$
\form#59:$n_\mathrm{docc}$
\form#60:$n_\mathrm{docc} = (c - n_\mathrm{socc})/2$
\form#61:$\Delta D$
\form#62:$D$
\form#63:$G$
\form#64:$O$
\form#65:$X O X^T$
\form#66:$X$
\form#67:\[ \bar{x}' = f(\bar{x}) \]