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Angular momentum integral

Open JangidBhavnesh opened this issue 1 year ago • 4 comments

Is it possible to calculate the angular momentum integral with libcint?

For example, I have highly paramagnetic TM-Complex, where the unpair electrons are localized on metal center, then using that as origin, can I calculate the 1e integrals in presence of magnetic field?

JangidBhavnesh avatar Aug 03 '24 21:08 JangidBhavnesh