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Fixed-Point Optimization of Atoms & Density in DFT Fixed-Point Optimization of Atoms & Density in DFT

Fixed-Point Optimization of Atoms & Density in DFT - PowerPoint Presentation

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Uploaded On 2016-04-24

Fixed-Point Optimization of Atoms & Density in DFT - PPT Presentation

L D Marks Department of Mat Sci amp Eng Northwestern University J Chem Theory Comput DOI 101021 ct4001685 Fundamentals A substantial fraction of the world computing is doing DFT calculations ID: 291217

ct4001685 theory doi 1021 theory ct4001685 1021 doi comput chem algorithm point fixed linear greedy dft broyden density methods

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