Factorized electron-nuclear dynamics with effective complex potential: on-the-fly implementation for H$_2^+$ in a laser field
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arXiv
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| Main Authors: | Stetzler, Julian, Garashchuk, Sophya, Rassolov, Vitaly A. |
|---|---|
| Format: | Preprint |
| Published: |
2025
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| Online Access: | |
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