Talk:Clemens C. J. Roothaan

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Untitled[edit]

It is said that "He realised that the then current approach to molecular orbital theory was incorrect." This is wrong. The MO theory was not incorrect at that time, HF equations were well established. The only problem was that HF approximation supposed a orthonormal basis set. He converted it into a more general problem in which also non-orthonormal basis sets could be used.... I think that should be changed. —Preceding unsigned comment added by 152.77.2.217 (talk) 16:31, 10 November 2008 (UTC)[reply]