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Q: PySCF calcuation of 'one-index' electrostatic (Hartree) potential

stefan_chemI'm trying to calculate the electrostatic (Hartree) potential corresponding to a single (auxiliary) GTO: $$v_i({\bf r_1}) = \int d{\bf r}_2~ \frac{\phi_i ({\bf r}_2)}{r_{12}}$$ [Please note that $\phi_i$ is not squared]. I have been using the 'fake_mol' delta function trick to calculate the Hartr...

 

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