Persistence of atoms in molecules: there is room beyond electron densities

Menéndez-Herrero, M.; Martín Pendás, Á.

doi:10.1107/S2052252524000915

Figure 12
HF+J Born maxima. From top to bottom: ¹S ground state of Ca, global maximum in CaH₂, mono-ionic local maximum of CaH₂ and di-ionic local maximum of CaH₂.

IUCrJ

Volume 11| Part 2| March 2024| Pages 210-223

ISSN: 2052-2525

https://doi.org/10.1107/S2052252524000915

MATERIALS | COMPUTATION

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