Harnessing dressed time-dependent density functional theory for the non-perturbative regime: Electron dynamics with double excitations
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arXiv
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| Main Authors: | Ray, Dhyey, Baranova, Anna, Dar, Davood B., Maitra, Neepa T. |
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| Format: | Preprint |
| Published: |
2025
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| Online Access: | |
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