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. 2018 Jan 11;8(5):2678–2707. doi: 10.1039/c7ra11829e

Comparison of correction schemes for core electron density grid and total electron density grid.

Aspect Core electron grid correction Total electron grid correction
Electron density Core Total (core + valence)
When correction formed During core partitioning At start of bond order analysis
Target atomic populations N core N DDEC6
Grid points corrected All 5 × 5 × 5 block around each nucleus
Atomic weighting factors w core (rA) w DDEC6 (rA)