838 |
|
\caption{\label{tab:tableenergy}Radial functions used in the energy |
839 |
|
and torque equations. The $f, g, h, s, t, \mathrm{and} u$ |
840 |
|
functions used in this table are defined in Appendices B and C.} |
841 |
< |
\begin{tabular}{|c|c|l|l|} \hline |
842 |
< |
Generic&Bare Coulomb&Taylor-Shifted&Gradient-Shifted |
841 |
> |
\begin{tabular}{|c|c|l|l|l|} \hline |
842 |
> |
Generic&Bare Coulomb&Taylor-Shifted (TSF)&Shifted Potential (SP)&Gradient-Shifted (GSF) |
843 |
|
\\ \hline |
844 |
|
% |
845 |
|
% |
848 |
|
$v_{01}(r)$ & |
849 |
|
$\frac{1}{r}$ & |
850 |
|
$f_0(r)$ & |
851 |
< |
$f(r)-f(r_c)-(r-r_c)g(r_c)$ |
851 |
> |
$f(r)-f(r_c)$ & |
852 |
> |
SP $-(r-r_c)g(r_c)$ |
853 |
|
\\ |
854 |
|
% |
855 |
|
% |
858 |
|
$v_{11}(r)$ & |
859 |
|
$-\frac{1}{r^2}$ & |
860 |
|
$g_1(r)$ & |
861 |
< |
$g(r)-g(r_c)-(r-r_c)h(r_c)$ \\ |
861 |
> |
$g(r)-g(r_c)$ & |
862 |
> |
SP $-(r-r_c)h(r_c)$ \\ |
863 |
|
% |
864 |
|
% |
865 |
|
% |
867 |
|
$v_{21}(r)$ & |
868 |
|
$-\frac{1}{r^3} $ & |
869 |
|
$\frac{g_2(r)}{r} $ & |
870 |
< |
$\frac{g(r)}{r}-\frac{g(r_c)}{r_c} -(r-r_c) |
870 |
> |
$\frac{g(r)}{r}-\frac{g(r_c)}{r_c}$ & |
871 |
> |
SP $-(r-r_c) |
872 |
|
\left( -\frac{g(r_c)}{r_c^2} + \frac{h(r_c)}{r_c} \right)$ \\ |
873 |
|
$v_{22}(r)$ & |
874 |
|
$\frac{3}{r^3} $ & |
875 |
|
$\left(-\frac{g_2(r)}{r} + h_2(r) \right)$ & |
876 |
< |
$\left(-\frac{g(r)}{r}+h(r) \right) |
877 |
< |
-\left(-\frac{g(r_c)}{r_c}+h(r_c) \right)$ \\ |
875 |
< |
&&& $ ~~~-(r-r_c) \left( \frac{g(r_c)}{r_c^2}-\frac{h(r_c)}{r_c}+s(r_c) \right)$ |
876 |
< |
\\ |
876 |
> |
$\left(-\frac{g(r)}{r}+h(r) \right)$ & SP \\ |
877 |
> |
&&& $~~~-\left(-\frac{g(r_c)}{r_c}+h(r_c) \right)$ & $~~~-(r-r_c) \left( \frac{g(r_c)}{r_c^2}-\frac{h(r_c)}{r_c}+s(r_c) \right)$\\ |
878 |
|
% |
879 |
|
% |
880 |
|
% |
882 |
|
$v_{31}(r)$ & |
883 |
|
$\frac{3}{r^4} $ & |
884 |
|
$\left(-\frac{g_3(r)}{r^2} + \frac{h_3(r)}{r} \right)$ & |
885 |
< |
$\left( -\frac{g(r)}{r^2}+\frac{h(r)}{r} \right) |
886 |
< |
-\left(-\frac{g(r_c)}{r_c^2}+\frac{h(r_c)}{r_c} \right) $\\ |
886 |
< |
&&&$ ~~~ -(r-r_c) \left(\frac{2g(r_c)}{r_c^3}-\frac{2h(r_c)}{r_c^2}+\frac{s(r_c)}{r_c} \right)$ |
887 |
< |
\\ |
885 |
> |
$\left( -\frac{g(r)}{r^2}+\frac{h(r)}{r} \right)$ & SP \\ |
886 |
> |
&&& $-\left(-\frac{g(r_c)}{r_c^2}+\frac{h(r_c)}{r_c} \right) $ & $~~~-(r-r_c) \left(\frac{2g(r_c)}{r_c^3}-\frac{2h(r_c)}{r_c^2}+\frac{s(r_c)}{r_c} \right)$ \\ |
887 |
|
% |
888 |
|
$v_{32}(r)$ & |
889 |
|
$-\frac{15}{r^4} $ & |
890 |
|
$\left( \frac{3g_3(r)}{r^2} - \frac{3h_3(r)}{r} + s_3(r) \right)$ & |
891 |
< |
$\left( \frac{3g(r)}{r^2} - \frac{3h(r)}{r} + s(r) \right) |
892 |
< |
- \left( \frac{3g(r_c)}{r_c^2} - \frac{3h(r_c)}{r_c} + s(r_c) \right)$ \\ |
893 |
< |
&&&$ ~~~ -(r-r_c) \left( \frac{-6g(r_c)}{r_c^3}+\frac{6h(r_c)}{r_c^2}-\frac{3s(r_c)}{r_c}+t(r_c) \right)$ |
895 |
< |
\\ |
891 |
> |
$\left( \frac{3g(r)}{r^2} - \frac{3h(r)}{r} + s(r) \right)$ & SP \\ |
892 |
> |
&&& $~~~- \left( \frac{3g(r_c)}{r_c^2} - \frac{3h(r_c)}{r_c} + s(r_c) |
893 |
> |
\right)$ & $~~~-(r-r_c) \left( \frac{-6g(r_c)}{r_c^3}+\frac{6h(r_c)}{r_c^2}-\frac{3s(r_c)}{r_c}+t(r_c) \right)$ \\ |
894 |
|
% |
895 |
|
% |
896 |
|
% |
898 |
|
$v_{41}(r)$ & |
899 |
|
$\frac{3}{r^5} $ & |
900 |
|
$\left(-\frac{g_4(r)}{r^3} +\frac{h_4(r)}{r^2} \right) $ & |
901 |
< |
$\left( -\frac{g(r)}{r^3} + \frac{h(r)}{r^2} \right) |
902 |
< |
- \left( -\frac{g(r_c)}{r_c^3} + \frac{h(r_c)}{r_c^2} \right)$ \\ |
905 |
< |
&&&$ ~~~ -(r-r_c) \left( \frac{3g(r_c)}{r_c^4}-\frac{3h(r_c)}{r_c^3}+\frac{s(r_c)}{r_c^2} \right)$ |
901 |
> |
$\left( -\frac{g(r)}{r^3} + \frac{h(r)}{r^2} \right)$ & SP \\ |
902 |
> |
&&& $~~~- \left( -\frac{g(r_c)}{r_c^3} + \frac{h(r_c)}{r_c^2} \right)$& $~~~-(r-r_c) \left( \frac{3g(r_c)}{r_c^4}-\frac{3h(r_c)}{r_c^3}+\frac{s(r_c)}{r_c^2} \right)$ |
903 |
|
\\ |
904 |
|
% 2 |
905 |
|
$v_{42}(r)$ & |
906 |
|
$- \frac{15}{r^5} $ & |
907 |
|
$\left( \frac{3g_4(r)}{r^3} - \frac{3h_4(r)}{r^2}+\frac{s_4(r)}{r} \right)$ & |
908 |
< |
$\left( \frac{3g(r)}{r^3} - \frac{3h(r)}{r^2}+\frac{s(r)}{r} \right) |
909 |
< |
-\left( \frac{3g(r_c)}{r_c^3} - \frac{3h(r_c)}{r_c^2}+\frac{s(r_c)}{r_c} \right)$ \\ |
910 |
< |
&&&$ ~~~ -(r-r_c) \left(- \frac{9g(r_c)}{r_c^4}+\frac{9h(r_c)}{r_c^3} |
911 |
< |
-\frac{4s(r_c)}{r_c^2} + \frac{t(r_c)}{r_c}\right)$ |
912 |
< |
\\ |
908 |
> |
$\left( \frac{3g(r)}{r^3} - \frac{3h(r)}{r^2}+\frac{s(r)}{r} |
909 |
> |
\right)$ & SP \\ |
910 |
> |
&&& $~~~-\left( \frac{3g(r_c)}{r_c^3} - |
911 |
> |
\frac{3h(r_c)}{r_c^2}+\frac{s(r_c)}{r_c} \right)$ & $~~~-(r-r_c) \left(- \frac{9g(r_c)}{r_c^4}+\frac{9h(r_c)}{r_c^3} |
912 |
> |
-\frac{4s(r_c)}{r_c^2} + \frac{t(r_c)}{r_c}\right)$ \\ |
913 |
|
% 3 |
914 |
|
$v_{43}(r)$ & |
915 |
|
$ \frac{105}{r^5} $ & |
916 |
|
$\left(-\frac{15g_4(r)}{r^3}+\frac{15h_4(r)}{r^2}-\frac{6s_4(r)}{r} + t_4(r)\right) $ & |
917 |
< |
$\left(-\frac{15g(r)}{r^3}+\frac{15h(r)}{r^2}-\frac{6s(r)}{r} + t(r)\right)$ \\ |
918 |
< |
&&&$~~~ -\left(-\frac{15g(r_c)}{r_c^3}+\frac{15h(r_c)}{r_c^2}-\frac{6s(r_c)}{r_c} + t(r_c)\right)$ \\ |
919 |
< |
&&&$~~~ -(r-r_c)\left(\frac{45g(r_c)}{r_c^4}-\frac{45h(r_c)}{r_c^3}+\frac{21s(r_c)}{r_c^2} |
920 |
< |
-\frac{6t(r_c)}{r_c}+u(r_c) \right)$ \\ \hline |
917 |
> |
$\left(-\frac{15g(r)}{r^3}+\frac{15h(r)}{r^2}-\frac{6s(r)}{r} + |
918 |
> |
t(r)\right)$ & SP $-(r-r_c)\left(\frac{45g(r_c)}{r_c^4}-\frac{45h(r_c)}{r_c^3}\right.$\\ |
919 |
> |
&&& |
920 |
> |
$~~~-\left(-\frac{15g(r_c)}{r_c^3}+\frac{15h(r_c)}{r_c^2}-\frac{6s(r_c)}{r_c} |
921 |
> |
+ t(r_c)\right)$ & $~~~~~~~\left.+\frac{21s(r_c)}{r_c^2} |
922 |
> |
-\frac{6t(r_c)}{r_c}+u(r_c) \right)$ \\ |
923 |
> |
\hline |
924 |
|
\end{tabular} |
925 |
|
\end{sidewaystable} |
926 |
|
% |