Err, as for number four there are many techniques more advanced than DFT for large systems, and they don't suffer the error that DFT does, ie self-interaction of the electorns.
Coupled cluster, QCISD and other post-HF techniques forinstance - the problem is not developing techniques, the problem is cpu time. And that is improving by the minute.
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Err, as for number four there are many techniques more advanced than DFT for large systems, and they don't suffer the error that DFT does, ie self-interaction of the electorns. Coupled cluster, QCISD and other post-HF techniques forinstance - the problem is not developing techniques, the problem is cpu time. And that is improving by the minute.