Exploring molecular equilibria using quantum information measures

DOI10.1002/ANDP.201200230MaRDI QIDQ4917328zbMATH OpenOpenAlexFDO

Authors Roman F. Nalewajski

Publication date 29 April 2013

Published in Annalen der Physik (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1002/andp.201200230

zbMATH Keywords

density-constrained principleselectronic structure theoryequidensity orbitalsequilibrium statesFisher informationHarriman constructioninformation theoryphase ``temperaturequantum information measuresShannon entropy

Mathematics Subject Classification ID

Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Selfadjoint operator theory in quantum theory, including spectral analysis (81Q10) Molecular physics (81V55) Measures of information, entropy (94A17)

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Cites work

• A Mathematical Theory of Communication
• Entropic representation in the theory of molecular electronic structure
• scientific article; zbMATH DE number 3155533 (Why is no real title available?)
• scientific article; zbMATH DE number 49526 (Why is no real title available?)
• scientific article; zbMATH DE number 1440433 (Why is no real title available?)
• Use of Harriman's construction in determining molecular equilibrium states
• Zur wellenmechanischen Behandlung von Vielkörperproblemen

Cited in

(17)

• Entropic representation in the theory of molecular electronic structure
• Use of Harriman's construction in determining molecular equilibrium states
• On \textit{phase}-equilibria in molecules
• Quantum information descriptors and communications in molecules
• Entropic descriptors of quantum communications in molecules
• Resultant entropy/information, phase/entropy continuity and bond multiplicities in degenerate electronic states
• On phases and interference of local communications in molecules
• Communications in molecules: local and multi-configuration channels and their entropic descriptors of bond multiplicity and composition
• Stationarity of electron distribution in ground-state molecular systems
• On entropy-continuity descriptors of molecular equilibrium states
• Complex entropy and resultant information measures
• Quantum information perspective on chemical \(\text{reactivity}^\dagger\)
• scientific article; zbMATH DE number 6520247 (Why is no real title available?)
• Quantum information approach to electronic equilibria: molecular fragments and \textit{non}-equilibrium thermodynamic description
• Quantum techniques for studying equilibrium in reaction networks
• Quantum information descriptors in position and momentum spaces
• On probability flow descriptors in position and momentum spaces

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