Stationarity of electron distribution in ground-state molecular systems

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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. © 2013 The Author(s).

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Szczepanik, D., & Mrozek, J. (2013). Stationarity of electron distribution in ground-state molecular systems. Journal of Mathematical Chemistry, 51(5), 1388–1396. https://doi.org/10.1007/s10910-013-0153-8

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