test_psi4_conda_runtime v0.0.0
This notebook has been successfully created and is ready for you to start working. To learn how to edit and run it, check out the marimo documentation. Whether you're analyzing data, testing algorithms, or exploring new ideas, this is your space. Once you're done, don't forget to click the Publish button to share your work. Happy coding! 🚀Adiabatic potential energies of the first three eigenstates, , along (from and ) obtained from a 'restricted open-shell Hartree--Fock' (ROHF) FCI/STO-3G calculation with Psi4
