Column order, signs of MO coefficients, and density matrix construction in Hartree-Fock – chemistry.stackexchange.com

Column order, signs of MO coefficients, and density matrix construction in Hartree-Fock – chemistry.stackexchange.com

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I'm attempting to make a Hartree-Fock solver, using Python, following Daniel Crawford's guide. I have been successful with the first four steps. However, I am having some trouble with this part in ...

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