遇见数据集

Supporting Dataset for Conical Intersections from Occupancy Extrapolation and the Importance of Reference Choice

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Zenodo2026-06-22 更新2026-06-28 收录
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This archive contains processed numerical data and plotting scripts supporting the conical-intersection examples in the manuscript: "Conical Intersections from Occupancy Extrapolation and the Importance of Reference Choice" The data are intended for public deposition and are organized by test system. The files provide the numerical values needed to reproduce the potential-energy surfaces, energy-gap plots, and one-dimensional scans reported in the main text and Supporting Information.

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Zenodo
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2026-06-22
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