Spin non-Collinear Real-Time Time-Dependent Density-Functional Theory and Implementation in the Modern GPU-Accelerated INQ code
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arXiv
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| Main Authors: | Simoni, Jacopo, Andrade, Xavier, Fang, Wuzhang, Grieder, Andrew C., Correa, Alfredo A., Ogitsu, Tadashi, Ping, Yuan |
|---|---|
| Format: | Preprint |
| Published: |
2025
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| Subjects: | |
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