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Adrian RomanMay 20, 2022 - committedAdrian Roman
May 20, 2022 - committedAdrian Roman
May 20, 2022
Commits on May 19, 2022
Switched to central difference for #13, seems that the step was too high, added MP2 energy for dipole moment computation, something still seems wrong, as I don't get expected values (they even get …
committedAdrian RomanMay 19, 2022 Implemented a test for #13. Although I get very close to the experimental value, there seems to be something wrong, because it's very sensitive to the step size (for the derivative)
committedAdrian RomanMay 19, 2022