Entropic representation in the theory of molecular electronic structure

DOI10.1007/s10910-012-0084-9zbMath1447.81219OpenAlexW2080071193MaRDI QIDQ1936963

Roman F. Nalewajski

Publication date: 11 February 2013

Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s10910-012-0084-9

zbMATH Keywords

Schrödinger equationmaximum entropy principlequantum mechanicsquantum Fisher informationelectronic structure theory``thermodynamic statesinformation continuity equationsnonclassical entropy

Mathematics Subject Classification ID

Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Electromagnetic interaction; quantum electrodynamics (81V10) Molecular physics (81V55) Time-dependent Schrödinger equations and Dirac equations (35Q41) Quantum entropies (81P17)

Related Items (14)

On entropy-continuity descriptors of molecular equilibrium states ⋮ On the information balance in a simple chemical process ⋮ On probability flow descriptors in position and momentum spaces ⋮ Use of Harriman's construction in determining molecular equilibrium 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 ⋮ Quantum information approach to electronic equilibria: molecular fragments and \textit{non}-equilibrium thermodynamic description ⋮ Quantum information descriptors in position and momentum spaces ⋮ Exploring molecular equilibria using quantum information measures ⋮ Entropic descriptors of quantum communications in molecules ⋮ On \textit{phase}-equilibria in molecules ⋮ Quantum information descriptors and communications in molecules ⋮ Quantum tunneling and information entropy in a double square well potential: the ammonia molecule ⋮ Resultant entropy/information, phase/entropy continuity and bond multiplicities in degenerate electronic states

Cites Work

• Unnamed Item
• Additive and non-additive information channels in orbital communication theory of the chemical bond
• Science from Fisher Information

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