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

DOI10.1007/s10910-007-9245-7zbMath1255.81238OpenAlexW2065374214WikidataQ62511214 ScholiaQ62511214MaRDI QIDQ937652

Ramon 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 functionsdensity function fittingMulliken atomic basis setMulliken projectors

Mathematics Subject Classification ID

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

Related Items (4)

On density function coordinate matrix ⋮ Mathematical aspects of the LCAO MO first order density function. V: Centroid shifting of MO shape functions basis set, properties and applications ⋮ 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. 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)

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

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