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Results

Minimum energy calculated by this method is always lower than the correct energy:


At the minimum,

\begin{displaymath}\displaystyle{\frac{\partial Q}{\partial f_i} = 0 =
\frac{\pa...
...l E}{\partial f_i} -2\lambda + \frac{\partial P}{\partial
f_i}}\end{displaymath}



$\Rightarrow$ take derivatives to obtain forces.

Peter D. Haynes 2001-11-19