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Kohn–Sham Time-Dependent Density Functional Theory with Tamm–Dancoff Approximation on Massively Parallel GPUs

npj Computational Materials(2023)

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Key words
Electronic structure,Theoretical chemistry,Materials Science,general,Characterization and Evaluation of Materials,Mathematical and Computational Engineering,Theoretical,Mathematical and Computational Physics,Computational Intelligence,Mathematical Modeling and Industrial Mathematics
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