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Showing 1 to 2 of 2 for “"Anderson mixing"”.
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Orbital-free density functional theory using higher-order finite differences
… accelerated using extrapolation techniques like Anderson mixing. We verify the accuracy of our results by comparing the energies and forces with plane-wave methods for selected examples, one of which is the vacancy formation energy in Aluminum. Overall, we demonstrate that the proposed …
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Self-assembly of Block Polymers: Self-Consistent Field Theory and Monte-Carlo Simulations
… we have developed an improved version of the Anderson-mixing iteration algorithm that increases the computational efficiency by at least 5-10 times compared to the previous version. The second problem focuses on studying the phase behavior of three different multiblock polymers, ABC triblocks, …