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How to write a hartree fock program

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Work fast with our official CLI. Learn more. If nothing happens, download GitHub Desktop and try again. If nothing happens, download Xcode and try again. If nothing happens, download the GitHub extension for Visual Studio and try again. This is a Hartree-Fock program that aims to show how Hartree-Fock really works in every process.
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Post–Hartree–Fock - Wikipedia

We would like to minimize the energy using the following basis for electrons:. We express the energy in this basis:. We minimize it with the constrain :. And writing the individual terms explicitly in this section, all orbitals are spin orbitals :.
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Hartree-Fock Self Consistent Field Procedure

Physics Stack Exchange is a question and answer site for active researchers, academics and students of physics. It only takes a minute to sign up. Connect and share knowledge within a single location that is structured and easy to search. I'm currently reading a book about electronic structure, and I'm really interested in Hartree-Fock method. But I can only have an empirical understanding from the book.
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SCF program: scf. Overlap integrals: s. Kinetic Energy integrals: t. Potential Energy integrals: v. Nuclear Repulsion: enuc.
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