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One of the most basic and generally applicable is called F-mixing or damping. Finding the Hartree—Fock one-electron wave functions is now equivalent to solving the eigenfunction equation. By using this site, you agree to the Terms of Use and Privacy Policy. Douglas Hartree's methods were guided by some earlier, semi-empirical methods of the early s by E. Others expand the true multi-electron wave function in terms of a linear combination of Slater determinants—such as multi-configurational self-consistent field , configuration interaction , quadratic configuration interaction , and complete active space SCF CASSCF. Modern molecular Hartree—Fock computer programs use a variety of methods to ensure convergence of the Roothaan—Hall equations.

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