Efficient first-principles modeling of complex molecular crystals at sub-chemical accuracy

Fuente: arXiv
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Bibliographic Details
Main Authors: Shi, Benjamin X., Herman, Kristina M., Della Pia, Flaviano, Kapil, Venkat, Zen, Andrea, Nagy, Peter R., Xantheas, Sotiris, Michaelides, Angelos
Format: Preprint
Published: 2026
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