Talk:Gaussian orbital

Physics Mid‑importance

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Chemistry Mid‑importance

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POLYATOM[edit]

I just added minimum information about POLYATOM. Shai Shavitt published a paper in Israeli Journal of Chemistry describing it as precursor of Pople's sofware packages. Do not have time to get details now, hope someone else will Michael P. Barnett (talk) 13:23, 21 February 2011 (UTC)[reply]

I think you are right that it was the first general program. We should however mention the Boys et al calculation on formaldehyde, which is I believe thought to be the oldest calculation on a polyatomic molecule which is actually correct and can be reproduced by modern programs. Does anyone have a reference for that? --Bduke (Discussion) 20:41, 21 February 2011 (UTC)[reply]

Normalization constant in closed form[edit]

Maybe I'm missing something, but shouldn't it be ok to just write down the exact expression as below?

A(\ell ,\alpha )={\sqrt {\frac {(2\alpha )^{3+2\ell }}{\Gamma (3+2\ell )}}}

B(\ell ,\alpha )={\sqrt {\frac {2(2\alpha )^{3/2+\ell }}{\Gamma (3/2+\ell )}}}

--D昌양 (Talk) 10:09, 29 November 2016 (UTC)[reply]