Entropic descriptors of quantum communications in molecules

2015
journal article
article
12
dc.abstract.enThe classical Information Theory (IT) deals with entropic descriptors of the probability distributions and probability-propagation (communication) systems, e.g., the electronic channels in molecules reflecting the information scattering via the system chemical bonds. The quantum IT additionally accounts for the non-classical (current/phase)-related contributions in the resultant information content of electronic states. The classical and non-classical terms in the quantum Shannon entropy and Fisher information are reexamined. The associated probability-propagation and current-scattering networks are introduced and their Fisher- and Shannon-type descriptors are identified. The non-additive and additive information descriptors of the probability channels in both the Atomic Orbital and local resolution levels are related to the network conditional-entropy and mutual-information, which represent the IT covalency and ionicity components in the classical communication theory of the chemical bond. A similar partition identifies the associated bond indices in the molecular current/phase channels. The resultant bond descriptors combining the classical and non-classical terms, due to the probability and current distributions, respectively, are proposed as generalized communication-noise (covalency) and information-flow (iconicity) concepts in the quantum IT.pl
dc.affiliationWydział Chemii : Zakład Chemii Teoretycznej im. K. Gumińskiegopl
dc.contributor.authorNalewajski, Roman - 130874 pl
dc.date.accession2019-04-26pl
dc.date.accessioned2015-07-07T07:44:44Z
dc.date.available2015-07-07T07:44:44Z
dc.date.issued2015pl
dc.date.openaccess0
dc.description.accesstimew momencie opublikowania
dc.description.number1pl
dc.description.physical1-28pl
dc.description.versionostateczna wersja wydawcy
dc.description.volume53pl
dc.identifier.doi10.1007/s10910-014-0405-2pl
dc.identifier.eissn1572-8897pl
dc.identifier.issn0259-9791pl
dc.identifier.projectROD UJ / Ppl
dc.identifier.urihttp://ruj.uj.edu.pl/xmlui/handle/item/11835
dc.identifier.weblinkhttps://link.springer.com/content/pdf/10.1007%2Fs10910-014-0405-2.pdfpl
dc.languageengpl
dc.language.containerengpl
dc.rightsUdzielam licencji. Uznanie autorstwa 4.0 Międzynarodowa*
dc.rights.licenceCC-BY
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/legalcode.pl*
dc.share.typeinne
dc.subtypeArticlepl
dc.titleEntropic descriptors of quantum communications in moleculespl
dc.title.journalJournal of Mathematical Chemistrypl
dc.typeJournalArticlepl
dspace.entity.typePublication
dc.abstract.enpl
The classical Information Theory (IT) deals with entropic descriptors of the probability distributions and probability-propagation (communication) systems, e.g., the electronic channels in molecules reflecting the information scattering via the system chemical bonds. The quantum IT additionally accounts for the non-classical (current/phase)-related contributions in the resultant information content of electronic states. The classical and non-classical terms in the quantum Shannon entropy and Fisher information are reexamined. The associated probability-propagation and current-scattering networks are introduced and their Fisher- and Shannon-type descriptors are identified. The non-additive and additive information descriptors of the probability channels in both the Atomic Orbital and local resolution levels are related to the network conditional-entropy and mutual-information, which represent the IT covalency and ionicity components in the classical communication theory of the chemical bond. A similar partition identifies the associated bond indices in the molecular current/phase channels. The resultant bond descriptors combining the classical and non-classical terms, due to the probability and current distributions, respectively, are proposed as generalized communication-noise (covalency) and information-flow (iconicity) concepts in the quantum IT.
dc.affiliationpl
Wydział Chemii : Zakład Chemii Teoretycznej im. K. Gumińskiego
dc.contributor.authorpl
Nalewajski, Roman - 130874
dc.date.accessionpl
2019-04-26
dc.date.accessioned
2015-07-07T07:44:44Z
dc.date.available
2015-07-07T07:44:44Z
dc.date.issuedpl
2015
dc.date.openaccess
0
dc.description.accesstime
w momencie opublikowania
dc.description.numberpl
1
dc.description.physicalpl
1-28
dc.description.version
ostateczna wersja wydawcy
dc.description.volumepl
53
dc.identifier.doipl
10.1007/s10910-014-0405-2
dc.identifier.eissnpl
1572-8897
dc.identifier.issnpl
0259-9791
dc.identifier.projectpl
ROD UJ / P
dc.identifier.uri
http://ruj.uj.edu.pl/xmlui/handle/item/11835
dc.identifier.weblinkpl
https://link.springer.com/content/pdf/10.1007%2Fs10910-014-0405-2.pdf
dc.languagepl
eng
dc.language.containerpl
eng
dc.rights*
Udzielam licencji. Uznanie autorstwa 4.0 Międzynarodowa
dc.rights.licence
CC-BY
dc.rights.uri*
http://creativecommons.org/licenses/by/4.0/legalcode.pl
dc.share.type
inne
dc.subtypepl
Article
dc.titlepl
Entropic descriptors of quantum communications in molecules
dc.title.journalpl
Journal of Mathematical Chemistry
dc.typepl
JournalArticle
dspace.entity.type
Publication
Affiliations

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