Diagonal coefficient representation of density functions and quantum similarity measures

DOI10.1007/S10910-008-9441-0MaRDI QIDQ552000zbMATH OpenOpenAlexWikidataFDO

Authors R. Carbó-Dorca

Publication date 21 July 2011

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

Full work available at URL https://doi.org/10.1007/s10910-008-9441-0

zbMATH Keywords

\(p\)-th order density functionsMinkowski metricnested summation symbolspseudo-wave functionsquantum similarity measuresvector semispaces

Mathematics Subject Classification ID

Molecular physics (81V55)

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Cites work

• Definition and quantum chemical applications of nested summation symbols and logical functions: Pedagogical artificial intelligence devices for formulae writing, sequential programming and automatic parallel implementation
• Definition, mathematical examples and quantum chemical applications of nested summation symbols and logical Kronecker deltas
• 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
• Shell partition and metric semispaces: Minkowski norms, root scalar products, distances and cosines of arbitrary order

Cited in

(10)

• On the statistical interpretation of density functions: Atomic shell approximation, convex sets, discrete quantum chemical molecular representations, diagonal vector spaces and related problems
• Quantum similarity matrices column set as holograms of DF molecular point clouds
• Mathematical aspects of the LCAO MO first order density function. V: Centroid shifting of MO shape functions basis set, properties and applications
• Molecular descriptors and quasi-distribution functions
• Quantum similarity and QSPR in Euclidean-, and Minkowskian-Banach spaces
• Mathematical aspects of the LCAO MO first order density function. IV: A discussion on the connection of Taylor series expansion of electronic density (TSED) function with the holographic electron density theorem (HEDT) and the Hohenberg-Kohn theorem (HKT)
• Molecular quantum similarity measures in Minkowski metric vector semispaces
• Generalized one-electron spin functions and self-similarity measures
• Quantum similarity, volume functions and generalized Carbó indices
• QSPR in molecular spaces: ordering data, \{de- \& re-\} constructing molecular similarity matrices, building their isometric vectors defining statistical-like momenta of molecular polyhedra, and analyzing the structure of a quantum QSPR operator

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