Variational principle, Hohenberg-Kohn theorem, and density function origin shifts
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Publication:2517604
DOI10.1007/S10910-013-0154-7zbMath1321.49079OpenAlexW1982144722WikidataQ62511132 ScholiaQ62511132MaRDI QIDQ2517604
Publication date: 26 August 2015
Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1007/s10910-013-0154-7
variational principleextended variational principleHohenberg-Kohn theoremdensity function origin shift
Related Items (4)
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Cites Work
- On density function coordinate matrix
- Shells, point cloud huts, generalized scalar products, cosines and similarity tensor representations in vector semispaces
- 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)
- A Gaussian holographic theorem and the projection of electronic density functions into the surface of a sphere
- Centroid origin shift of quantum object sets and molecular point clouds description and element comparisons
- On the statistical interpretation of density functions: Atomic shell approximation, convex sets, discrete quantum chemical molecular representations, diagonal vector spaces and related problems
- Analysis of a general theorem concerning two non-commuting Hermitian matrices: Quantum mechanical implications for ground and excited states
- A naive look on the Hohenberg-Kohn theorem
- Shell partition and metric semispaces: Minkowski norms, root scalar products, distances and cosines of arbitrary order
- A mathematical discussion on density and shape functions, vector semispaces and related questions
- Hohenberg-Kohn theorem for Coulomb type systems and its generalization
- 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
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