Talk:Full configuration interaction
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[edit]Page needs chewing up into more digestible pieces!--Light current 03:16, 6 December 2005 (UTC)
This page needs to be re-written. I'm a graduate student who deals with computational chemistry and I can't make heads or tails of this. Surely FCI can be explained for a wider audience. neffk (talk) 04:04, 17 October 2009 (UTC)
Numerically exact solution?
[edit]Yes, the page is pretty technical, and I have a specific question. What exactly is meant by "numerically exact solutions (within the given one-particle basis set) to the electronic Schrödinger equation"? It seems to me that if the basis set is small, for example STO-3G, then even full CI will give a wave function which is far from numerically exact. Is numerically exact with a given basis a different concept from numerically exact period? If so, perhaps it should be explained. Dirac66 (talk) 00:49, 27 October 2009 (UTC)