Published March 14, 2005 | Version v1
Journal article

Discontinuity of Shannon information entropy for two-electron atoms

  • 1. Department of Chemistry, Purdue University, 1393 Brown Building, West Lafayette, IN 47907 (United States)

Description

Atomic Shannon information entropies are computed using Hyllerass-type basis functions for the helium isoelectronic series. As one varies the nuclear charge Z for the two-electron atoms, finite size scaling analysis shows that the system exhibits a critical point of the ground state energy at λc=1/Zc=1.0971+/-0.0005 with a critical exponent α=1, E(λ)∼(λ-λc)α. At the critical point, the ground state energy becomes degenerate with the hydrogenic threshold. The Shannon information entropy develops a step-like discontinuity at λc. Further analysis indicates that the entropy as a function of λ is proportional to the first derivative of the energy with respect to λ. The critical exponent for the entropy αs=0, S(λ)∼(λ-λc)αs

Additional details

Identifiers

DOI
10.1016/j.chemphys.2004.08.020;
PII
S0301-0104(04)00484-7;

Publishing Information

Journal Title
Chemical Physics
Journal Volume
309
Journal Issue
2-3
Journal Page Range
p. 127-131
ISSN
0301-0104
CODEN
CMPHC2

INIS

Country of Publication
Netherlands
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
36081407
Subject category
S74: ATOMIC AND MOLECULAR PHYSICS;
Descriptors DEI
ATOMS; ELECTRONS; ENTROPY; FUNCTIONS; GROUND STATES; HELIUM
Descriptors DEC
ELEMENTARY PARTICLES; ELEMENTS; ENERGY LEVELS; FERMIONS; FLUIDS; GASES; LEPTONS; NONMETALS; PHYSICAL PROPERTIES; RARE GASES; THERMODYNAMIC PROPERTIES

Optional Information

Copyright
Copyright (c) 2004 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.