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Figure 10
The change in the electron density due to electron correlation; modelled as the difference between a theoretical model wavefunction and HF/def2-SVP electron density at the HAR geometry from oxa11 data set. (a) is B3LYP, (b) is PBE0 and (c) is CCSD.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
Volume 78| Part 3| June 2022| Pages 397-415
https://doi.org/10.1107/S2052520622004103
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