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posted on 2025-10-09, 12:09 authored by Cat O'Rourke, Deborah Crittenden
Contains electronic energy data for all calculations reported in this work

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    DOI - Is supplement to Double-half-H<sub>2</sub>: A two-electron model system for benchmarking quantum chemical methods across multiple bond types & molecular conformations

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    Journal of Chemical Physics

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    Electronic structure models

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