Validating additive correction schemes against gradient-based extrapolations
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Supporting information for the paper.<br> <br> Python files are used to generate figures, which will be placed in the "figures" folder. The table include files in "si" are also automatically generated. Each of the other folders includes all data (inputs, shell scripts and outputs) of the Psi4 calculations for a given species, with the exception of the NCDT16 folder, which is a benchmark code developed previously.
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Zenodo创建时间：
2019-03-13
