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Figure 1
Schematic representation of the relative arrangement of the pseudo­atomic and atomic boundaries U(Ω), P(Ω) and S(Ω) in an internuclear space and the direction of the electronic electrostatic, kinetic and total static forces, Fes(r), Fk(r) and [{\cal F}({\bf r})], in the regions between the boundaries. The atomic boundary S(Ω) is shown as a black vertical line, while the pseudoatomic boundaries U(Ω) and P(Ω) are shown as blue and orange vertical lines, respectively. The superscripts o and c indicate the force origin: electron occupier (left) and electron contributor (right), respectively, which are demarcated by S(Ω).

IUCrJ
Volume 10| Part 5| September 2023| Pages 584-602
ISSN: 2052-2525
https://doi.org/10.1107/S2052252523007108