Entropic and Complexity Measures in Atomic and Molecular Systems
A special issue of Entropy (ISSN 1099-4300). This special issue belongs to the section "Information Theory, Probability and Statistics".
Deadline for manuscript submissions: closed (26 September 2022) | Viewed by 10797
Special Issue Editors
2. Instituto Carlos I de Física Teórica y Computacional, Universidad de Granada, 18071 Granada, Spain
Interests: entropic functionals; complexity measures; information planes; atomic and molecular distributions; neutral and ionized systems; quantum similarity and divergence; uncertainty inequalities; relative and mutual information
2. Instituto Carlos I de Física Teórica y Computacional, Universidad de Sevilla, 41012 Sevilla, Spain
Interests: information theory of quantum systems; entropies, complexities, and divergence measures; atomic and molecular systems; quantum entanglement; mutual information; quantum similarity
Special Issue Information
Dear Colleagues,
The structural features of atomic and molecular systems are known to be strongly related with many of their physical and chemical properties. It is usual to describe their structure in terms of the respective one- and two-particle electron densities, well-defined from the corresponding wavefunctions and straightforwardly interpreted as probability distributions. Within a probabilistic context, information theory plays a central role for an accurate description of the associated uncertainty on the variables involved, and its interpretation in physical terms. Shannon entropy or Fisher information are different examples of entropic descriptors with successful applications on those systems, but many others have also been considered or are emerging at present. Such is the case of complexity measures, frequently but not always derived from the above entropic ones. It is also worth mentioning the variety of relative measures among distributions (e.g., relative information, generalized entropies and divergences) or among variables (e.g., mutual information, conjugated spaces).
The present Special Issue is open to novel contributions on the above topics, but also to others related to them, taking into account the wideness of information theory and its applications. Both analytical and computational results are of interest, as well as the descriptions based on continuous or discrete variables.
Prof. Dr. Juan Carlos Angulo
Dr. Sheila López-Rosa
Guest Editors
Manuscript Submission Information
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Keywords
- applications of information theory
- entropy and complexity
- similarity and divergence
- atomic and molecular structure
- electron distributions
- relative information
- mutual information
- ionization and chemical reaction
- position and momentum spaces
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