Information entropy, information distances, and complexity in atoms

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Information entropy, information distances, and complexity in atoms.

Shannon information entropies in position and momentum spaces and their sum are calculated as functions of Z(2 < or = Z < or = 54) in atoms. Roothaan-Hartree-Fock electron wave functions are used. The universal property S = a + b ln Z is verified. In addition, we calculate the Kullback-Leibler relative entropy, the Jensen-Shannon divergence, Onicescu's information energy, and a complexity measu...

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ژورنال

عنوان ژورنال: The Journal of Chemical Physics

سال: 2005

ISSN: 0021-9606,1089-7690

DOI: 10.1063/1.2121610