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Exploring molecular equilibria using quantum information measures

2013
journal article
article
10.1002/andp.201200230
Journal
Annalen der Physik
Author
Nalewajski Roman
Volume
525
Number
3
Pages
256-268
ISSN
0003-3804
eISSN
1521-3889
Keywords in English

density-constrained principles

electronic structure theory

equidensity orbitals

equilibrium states

Fisher information

Harriman construction

information theory

phase “temperature"

quantum information measures

Shannon entropy

Language
English
Journal language
English
Affiliation
Wydział Chemii : Zakład Chemii Teoretycznej im. K. Gumińskiego
Scopus© citations
34
dc.affiliationWydział Chemii : Zakład Chemii Teoretycznej im. K. Gumińskiegopl
dc.contributor.authorNalewajski, Roman - 130874 pl
dc.date.accessioned2015-05-06T12:56:44Z
dc.date.available2015-05-06T12:56:44Z
dc.date.issued2013pl
dc.description.number3pl
dc.description.physical256-268pl
dc.description.volume525pl
dc.identifier.doi10.1002/andp.201200230pl
dc.identifier.eissn1521-3889pl
dc.identifier.issn0003-3804pl
dc.identifier.urihttp://ruj.uj.edu.pl/xmlui/handle/item/6638
dc.languageengpl
dc.language.containerengpl
dc.rights.licenceBez licencji otwartego dostępu
dc.subject.endensity-constrained principlespl
dc.subject.enelectronic structure theorypl
dc.subject.enequidensity orbitalspl
dc.subject.enequilibrium statespl
dc.subject.enFisher informationpl
dc.subject.enHarriman constructionpl
dc.subject.eninformation theorypl
dc.subject.enphase “temperature"pl
dc.subject.enquantum information measurespl
dc.subject.enShannon entropypl
dc.subtypeArticlepl
dc.titleExploring molecular equilibria using quantum information measurespl
dc.title.journalAnnalen der Physikpl
dc.typeJournalArticlepl
dspace.entity.typePublication
dc.affiliationpl
Wydział Chemii : Zakład Chemii Teoretycznej im. K. Gumińskiego
dc.contributor.authorpl
Nalewajski, Roman - 130874
dc.date.accessioned
2015-05-06T12:56:44Z
dc.date.available
2015-05-06T12:56:44Z
dc.date.issuedpl
2013
dc.description.numberpl
3
dc.description.physicalpl
256-268
dc.description.volumepl
525
dc.identifier.doipl
10.1002/andp.201200230
dc.identifier.eissnpl
1521-3889
dc.identifier.issnpl
0003-3804
dc.identifier.uri
http://ruj.uj.edu.pl/xmlui/handle/item/6638
dc.languagepl
eng
dc.language.containerpl
eng
dc.rights.licence
Bez licencji otwartego dostępu
dc.subject.enpl
density-constrained principles
dc.subject.enpl
electronic structure theory
dc.subject.enpl
equidensity orbitals
dc.subject.enpl
equilibrium states
dc.subject.enpl
Fisher information
dc.subject.enpl
Harriman construction
dc.subject.enpl
information theory
dc.subject.enpl
phase “temperature"
dc.subject.enpl
quantum information measures
dc.subject.enpl
Shannon entropy
dc.subtypepl
Article
dc.titlepl
Exploring molecular equilibria using quantum information measures
dc.title.journalpl
Annalen der Physik
dc.typepl
JournalArticle
dspace.entity.type
Publication
Affiliations
Wydział Chemii
Nalewajski, Roman

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