preprints.org > physical sciences > atomic and molecular physics > doi: 10.20944/preprints202310.1112.v1

Preprint Article Version 1 Preserved in Portico This version is not peer-reviewed

Version 1 : Received: 16 October 2023 / Approved: 17 October 2023 / Online: 19 October 2023 (11:30:20 CEST)
Version 2 : Received: 20 October 2023 / Approved: 20 October 2023 / Online: 23 October 2023 (12:08:40 CEST)
Version 3 : Received: 16 November 2023 / Approved: 16 November 2023 / Online: 17 November 2023 (15:13:11 CET)

Hund rule of maximum spin multiplicity is a powerful empirical tool to determine the electron population of electronic shells. It was recently discovered that electron populations within an orbital minimize Shannon entropy and maximize spin multiplicity, which seems to be the physical basis for the Hund rule. This study extends these findings to the Aufbau rule, strengthening its meaning. We observed that only about half of the elements with ground state configurations that violate the Aufbau rule have Shannon entropies lower for the actual element's configurations; the remaining ones have the same entropies in actual and Aufbau configurations. Furthermore, for the two nonsingleton sets of consecutive elements that violate the Aufbau rule, the first set (43 < Z < 48) contains elements having lower entropies and the same spin multiplicities in actual and Aufbau configurations, except palladium, the only element that violates the higher or equal multiplicity rule. The second set (88 < Z < 94) contains elements having the same entropies and spin multiplicities.

Hund's rule; Aufbau rule; second law of infodynamics; emergent dimensionality; mathematical physics

Physical Sciences, Atomic and Molecular Physics

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