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Springer (part of Springer Nature), Journal of Mathematical Chemistry, 5(51), p. 1388-1396

DOI: 10.1007/s10910-013-0153-8

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Stationarity of electron distribution in ground-state molecular systems

Journal article published in 2013 by Dariusz Wojciech Szczepanik ORCID, Janusz Mrozek
This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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Abstract

Stationarity of electron probability distribution within the resolution of atomic orbitals is considered involving some concepts from Orbital Communication Theory and the theory of Markov Processes. A new method of evaluating electron conditional probabilities based on natural orbitals is proposed and briefly discussed.