Use of the bond-projected superposition principle in determining the conditional probabilities of orbital events in molecular fragments

DOI10.1007/S10910-010-9766-3MaRDI QIDQ631466zbMATH OpenOpenAlexFDO

Authors Roman F. Nalewajski

Publication date 14 March 2011

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

Copyright license Creative Commons Attribution-NonCommercial 4.0 International

Full work available at URL https://doi.org/10.1007/s10910-010-9766-3

zbMATH Keywords

bond ordersbond projectionsconditional probabilities of orbitalscouplings of chemical bondsdensity matrixinformation theorymany-orbital eventsmolecular fragmentsmolecular information channelsorbital communication theorysuperposition principle for subspaces

Mathematics Subject Classification ID

Molecular physics (81V55) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10) Classical flows, reactions, etc. in chemistry (92E20)

Recommendations

• Application of the atomic configuration probability to the equilibrium calculation
• On quadratic bond-order decomposition within molecular orbital space
• Algebraic derivation of Franck-Condon overlap integrals for diatomic molecules
• On factorization of molecular wavefunctions
• Faddeev random phase approximation for molecules
• Entropic bond indices from molecular information channels in orbital resolution: ground-state systems
• Chemical bonds through probability scattering: Information channels for intermediate-orbital stages
• Analysis of the projected coupled cluster method in electronic structure calculation
• Many-orbital probabilities and their entropy/information descriptors in orbital communication theory of the chemical bond
• EVALUATING THE NATURE OF CHEMICAL BONDS BASED ON PROBABILISTIC MODELS

Cites work

• Additive and non-additive information channels in orbital communication theory of the chemical bond
• Entropy/information coupling between orbital-communications in molecular subsystems
• scientific article; zbMATH DE number 3131829 (Why is no real title available?)
• scientific article; zbMATH DE number 3615696 (Why is no real title available?)
• Many-orbital probabilities and their entropy/information descriptors in orbital communication theory of the chemical bond

Cited in

(10)

• Information-theoretic multiplicities of chemical bond in Shull's model of H₂
• On \textit{phase}-equilibria in molecules
• Entropic descriptors of quantum communications in molecules
• On quadratic bond-order decomposition within molecular orbital space
• 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 interference of orbital communications in molecular systems
• Chemical bonds from through-bridge orbital communications in prototype molecular systems
• On the implicit bond-dependency origins of bridge interactions

This page was built for publication: Use of the bond-projected superposition principle in determining the conditional probabilities of orbital events in molecular fragments

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q631466)