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equations in derivation of Roothaan's method computational schroedinger
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Apr 3rd 2016, 08:27 PM
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Torgny
Junior Member
Join Date: Apr 2016
Posts: 14
equations in derivation of Roothaan's method computational schroedinger
I don't get how they obtain the right side of (14) and (15) in th upload. Can anyone show how? Thanks!
the full document is here if it is available for everyone at this link:
file:///C:/Users/Tor/Downloads/Snow_JChemEd1972.pdf
Apr 4th 2016, 03:39 AM
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topsquark
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Join Date: Apr 2008
Location: On the dance floor, baby!
Posts: 2,437
First note that (d/dc)Delta(pq) = 0. Then reference the image below.
The second equation is virtually the same.
Dan
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