2 research outputs found
A simple method for the evaluation of the information content and complexity in atoms. A proposal for scalability
We present a very simple method for the calculation of Shannon, Fisher,
Onicescu and Tsallis entropies in atoms, as well as SDL and LMC complexity
measures, as functions of the atomic number Z. Fractional occupation
probabilities of electrons in atomic orbitals are employed, instead of the more
complicated continuous electron probability densities in position and momentum
spaces, used so far in the literature. Our main conclusions are compatible with
the results of more sophisticated approaches and correlate fairly with
experimental data. We obtain for the Tsallis entropic index the value q=1.031,
which shows that atoms are very close to extensivity. A practical way towards
scalability of the quantification of complexity for systems with more
components than the atom is indicated. We also discuss the issue if the
complexity of the electronic structure of atoms increases with Z. A Pair of
Order-Disorder Indices (PODI), which can be introduced for any quantum
many-body system, is evaluated in atoms. We conclude that "atoms are ordered
systems, which do not grow in complexity as Z increases".Comment: Preprint, 25 pages, 15 figures, 1 Tabl