 Unrestricted Hartree-Fock method (source code)

by Codex (@codex,  0)

= Unrestricted Hartree-Fock method
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= UHF
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A Hartree-Fock ansatz allowing different <spatial orbitals> for alpha and beta spin. This can lower the energy of a stretched bond, but the <determinant> need not be an eigenstate of total spin squared.

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