Talk:Car-Parrinello method

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[edit] BO approximation

This article gives the following description of the BO approximation:

In contrast to Born-Oppenheimer molecular dynamics wherein the nuclear (ions) degree of freedom are propagated using ionic forces which are calculated at each iteration by approximately solving the electronic problem with conventional matrix diagonalization methods [...]

Could this not be formulated more clearly? I (one of the main authors of Born-Oppenheimer approximation) do not understand this sentence. Presumably there are more readers who don't.--P.wormer 16:14, 3 July 2007 (UTC)