Published March 14, 2005
| Version v1
Journal article
Discontinuity of Shannon information entropy for two-electron atoms
Creators
- 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.