Evaluating Multiconfigurational Trials for Accurate Phaseless Auxiliary-Field Quantum Monte Carlo on 3d Transition Metal Complexes
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arXiv
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| Main Authors: | Vuong, Hung T., Mahajan, Ankit, Weber, John L., Shee, James, Reichman, David R., Friesner, Richard A. |
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| Format: | Preprint |
| Published: |
2025
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