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Wikipedia doesn't seem to have a reference to "overlap interval" which is required by the "Linear combination of atomic orbitals molecular orbital method". "Overlap integral" accounts for overlap in atomic orbital wavefunctions. My reference, "Tinkham M, Group Theory and Quantum Mechanics, Dover, 2003, page 214" illustrates the use of the overlap integral in a specific example. A more general description is needed. 150.203.2.85 01:18, 30 November 2005 (UTC)
I have now found a definition from the Glossary of Terms Used in Theoretical Organic Chemistry provided by the International Union Of Pure and Applied Chemistry ( http://www.iupac.org/reports/1999/7110minkin/o.html):
Overlap integral - The integral defining the summation over the space of the overlap of the electron density of two orbitals. 150.203.2.85 01:32, 30 November 2005 (UTC)
The article has this about the history of LCAO, "It was introduced in 1929 by Sir John Lennard-Jones and extended by Ugo Fano. It was indeed first put forward by Lennard-Jones, but what was the extension by Fano. Can we have a reference for it. I would also say that it was extended in the early days by Mulliken, Hund, Hückel and Coulson. -- Bduke 07:56, 10 June 2007 (UTC)
I attempted to make the symbols agree with p. 31 of IUPAC green book. -- Bduke 00:58, 16 June 2007 (UTC)
I'm under the impression that there's some relationship between this article and the article Tight binding. But neither article explains that relationship. Could someone add that information if they know it? Or, if appropriate, merge the two articles? -- Steve ( talk) 03:39, 17 August 2008 (UTC)
I came across this topic while grading papers and I have long since forgotten what LCAO physically represents. On what basis does it work? I get the math, but I'd like the physical intuition. If someone could provide that in the article, that'd be great. 68.126.187.64 ( talk) 20:08, 7 November 2010 (UTC)
The last reference is wrong, but I don't know how to correct it. The issue number in Science is 3784, not 3785: every other part of the reference is correct. Could anybody change this... thanks. Nessa Carson ( talk) 18:41, 29 December 2010 (UTC)
How LCAO only forms sigma bond not pi bond? apurva_thatsit 07:58, 23 July 2021 (UTC)
It does not. Have a look at the LCAO approach for benzene. You will find 3 MOs for the 6 electrons in the pi system. -- Bduke ( talk) 08:19, 23 July 2021 (UTC)