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Mar 7, 2025
Sannes, Bendik Støa; Pedersen, Jacob; Høyvik, Ida-Marie, 2025, "Replication Data for: "Fractional charging of electronically open molecules: An explicit projection operator approach"", https://doi.org/10.18710/6DX8IK, DataverseNO, V2
This data set is supplementary to the article "Fractional charging of electronically open molecules: An explicit projection operator aproach" (J. Chem. Phys. 162, 094108 (2025). doi: https://doi.org/10.1063/5.0251855). This data set contains the geometry file (.xyz), input (.inp) and output (.out) file, and Python scripts (.py) to reproduce the res...
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