Author Topic: two-electron integrals  (Read 139 times)

Dawood234

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two-electron integrals
« on: May 10, 2024, 06:29:50 PM »
Hello,
we were wondering if there is a way to extract two-electron integrals using Kohn-Sham orbitals. For example, is it possible to run a HF or CIS calculation but inputting KS orbitals and outputting the two-electron integrals before the SCF cycles begin?
I could not find a way to do it in the documentation or from searching the forum.
Thank you.
Best,
Davood