Comparison of self-consistent field convergence acceleration techniques

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LISTb: aBetterDirect Approach to LIST

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An analysis for the DIIS acceleration method used in quantum chemistry calculations

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Accelerating self-consistent field convergence with the augmented Roothaan–Hall energy function

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Perturbative total energy evaluation in self-consistent field Iterations: Tests on molecular systems

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The augmented Roothaan–Hall method for optimizing Hartree–Fock and Kohn–Sham density matrices

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A ground-state-directed optimization scheme for the Kohn–Sham energy

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