Mathematical aspects of the LCAO MO first order density function. II: Relationships between density functions

DOI10.1007/S10910-007-9245-7MaRDI QIDQ937652zbMATH OpenOpenAlexWikidataFDO

Authors R. Carbó-Dorca

Publication date 15 August 2008

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

Full work available at URL https://doi.org/10.1007/s10910-007-9245-7

zbMATH Keywords

density function fittingdensity functionsMulliken atomic basis setMulliken projectors

Mathematics Subject Classification ID

Atomic physics (81V45) Molecular physics (81V55)

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• Mathematical aspects of the LCAO MO first order density function. I: Atomic partition, metric structure and practical applications
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• On density function coordinate matrix

Cites work

• A mathematical discussion on density and shape functions, vector semispaces and related questions
• 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

Cited in

(8)

• Topological population analysis from higher order densities. II: The correlated case
• Mathematical aspects of the LCAO MO first order density function. V: Centroid shifting of MO shape functions basis set, properties and applications
• A naïve geometrical perspective of Fukui functions: definition of Fukui function skew symmetric matrices described on density function sets
• On density function coordinate matrix
• Symmetrical overlap transformations of function basis sets: the LCAO MO and quantum similarity practical cases
• 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)
• Mathematical aspects of the LCAO MO first order density function. III: A general localization procedure
• Mathematical aspects of the LCAO MO first order density function. I: Atomic partition, metric structure and practical applications

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