Independent Sources of Information-Theoretic Descriptors of Electronic States

Roman F. Nalewajski
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Roman F. Nalewajski: Department of Theoretical Chemistry, Jagiellonian University, Gronostajowa 2, 30-387 Cracow, Poland

Academic Journal of Chemistry, 2020, vol. 5, issue 8, 106-115

Abstract: The need for resultant measures of the Information-Theoretic (IT) content of molecular electronic wavefunctions, combining the information contributions due to the probability and phase/current distributions, is reemphasized. Complementary measures of the state entropy (disorder) and information (order) contents are reexamined, the continuities of wavefunction components are summarized, and the probability acceleration concept is used to determine the current and information sources. The experimental elimination of the state uncertainties is discussed and limitations in this information-acquirement process imposed by the Heisenberg indeterminacy principle are commented upon.

Keywords: Continuity relations; Entropic descriptors; Information sources; Probability acceleration; Resultant concepts; Wavefunction components. (search for similar items in EconPapers)
Date: 2020
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Persistent link: https://EconPapers.repec.org/RePEc:arp:ajcarp:2020:p:106-115

DOI: 10.32861/ajc.58.106.115

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