Published June 22, 2009 | Version v1
Journal article

A simple method for the evaluation of the information content and complexity in atoms. A proposal for scalability

  • 1. Department of Theoretical Physics, Aristotle University of Thessaloniki, 54124 Thessaloniki (Greece)
  • 2. Department of Automation, Faculty of Applied Technology, Alexander Technological Educational Institute (ATEI) of Thessaloniki, 57400 Thessaloniki (Greece)
  • 3. School of Mathematics, Physics and Computational Sciences, Faculty of Engineering, Aristotle University of Thessaloniki, 54124 Thessaloniki (Greece)

Description

We present a very simple method for the calculation of Shannon, Fisher and Onicescu 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. 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 (α,β) of Order-Disorder Indices (PODI), which can be introduced for any quantum many-body system, is evaluated in atoms (α=0.085, β=1.015). We conclude, by observing the trend of closed shells atoms, that 'atoms are ordered systems, which grow in complexity as Z increases'.

Availability note (English)

Available from http://dx.doi.org/10.1016/j.physleta.2009.04.070

Additional details

Identifiers

DOI
10.1016/j.physleta.2009.04.070;
arXiv
arXiv:0812.3963v1;
PII
S0375-9601(09)00557-X;

Publishing Information

Journal Title
Physics Letters. A
Journal Volume
373
Journal Issue
27-28
Journal Page Range
p. 2343-2350
ISSN
0375-9601
CODEN
PYLAAG

INIS

Country of Publication
Netherlands
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
41077460
Subject category
S74: ATOMIC AND MOLECULAR PHYSICS;
Resource subtype / Literary indicator
Numerical Data
Descriptors DEI
ATOMIC NUMBER; ATOMS; ELECTRONIC STRUCTURE; ELECTRONS; ENTROPY; EXPERIMENTAL DATA; MANY-BODY PROBLEM; MATHEMATICAL SPACE; ORDER-DISORDER MODEL; PROBABILITY; PROPOSALS
Descriptors DEC
DATA; ELEMENTARY PARTICLES; FERMIONS; INFORMATION; LEPTONS; MATHEMATICAL MODELS; NUCLEAR MODELS; NUMERICAL DATA; PHYSICAL PROPERTIES; SPACE; THERMODYNAMIC PROPERTIES

Optional Information

Copyright
Copyright (c) 2009 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.