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Solving the Electronic Eigenvalue Problem

Once we have invoked the Born-Oppenheimer approximation, we attempt to solve the electronic Schrödinger equation (171), i.e.
\left[ - \frac{1}{2} \sum_i \nabla_i^2 - \sum_{iA} \frac{Z_A...
...ight] \psi_e({\bf r}; {\bf R}) =
E_e \psi_e({\bf r}; {\bf R})
\end{displaymath} (183)

But, as mentioned previously, this equation is quite difficult to solve!


David Sherrill 2006-08-15