On the nature of the collective quantum mechanical description of molecular atoms and bonds

DOI10.1007/s10910-016-0629-4zbMath1358.82010OpenAlexW2333619792MaRDI QIDQ335916

Ramon Carbó-Dorca

Publication date: 10 November 2016

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

Full work available at URL: https://doi.org/10.1007/s10910-016-0629-4

zbMATH Keywords

LCAO MO theoryatom and bond expectation value matrixchemical atom and bond operatorsfirst order density function

Mathematics Subject Classification ID

Quantum equilibrium statistical mechanics (general) (82B10)

Related Items (1)

Refinement of a generalized Fermat's last theorem conjecture in natural vector spaces

Cites Work

• Unnamed Item
• On density function coordinate matrix
• Multimolecular polyhedra and QSPR
• A general procedure to obtain quantum mechanical charge and bond order molecular parameters
• Quantum mechanical basis for Mulliken population analysis
• Centroid origin shift of quantum object sets and molecular point clouds description and element comparisons
• Mathematical aspects of the LCAO MO first order density function. V: Centroid shifting of MO shape functions basis set, properties and applications
• Quantum polyhedra, definitions, statistics and the construction of a collective quantum similarity index
• Variational principle, Hohenberg-Kohn theorem, and density function origin shifts
• Quantum Theory of Many-Particle Systems. I. Physical Interpretations by Means of Density Matrices, Natural Spin-Orbitals, and Convergence Problems in the Method of Configurational Interaction

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