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Other AO Integrals

  • filipemmenezes
  • May 28, 2020
  • 1 min read

As the PDF on HF showed, one also requires kinetic energy integrals and nuclear repulsion integrals. Unfortunately, I was not yet able to find adequate solutions to all nuclear repulsion integrals, and therefore I can only provide for the moment the PDF for the calculation of kinetic energy integrals.

Finally, one also requires electron repulsion integrals (ERIs). More on these should come relatively soon.

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