On density function coordinate matrix
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Publication:364662
DOI10.1007/s10910-013-0186-zzbMath1312.81016OpenAlexW2023425996WikidataQ62511123 ScholiaQ62511123MaRDI QIDQ364662
Publication date: 9 September 2013
Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1007/s10910-013-0186-z
density matrixdensity functionbasis setscharge and bond order matrixdensity function coordinate matrixdensity function coordinatesLCAO-MO
Molecular physics (81V55) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10) Quantum state spaces, operational and probabilistic concepts (81P16)
Related Items (4)
On the nature of the collective quantum mechanical description of molecular atoms and bonds ⋮ Enfolded conformational spaces: definition of the chemical quantum mechanical multiverse under Born-Oppenheimer approximation ⋮ A postulate involving quantum mechanical momentum in position space, density function expression of the kinetic energy and Heisenberg's uncertainty relation ⋮ Variational principle, Hohenberg-Kohn theorem, and density function origin shifts
Cites Work
- A general procedure to obtain quantum mechanical charge and bond order molecular parameters
- Quantum mechanical basis for Mulliken population analysis
- Mathematical aspects of the LCAO MO first order density function. I: Atomic partition, metric structure and practical applications
- Mathematical aspects of the LCAO MO first order density function. II: Relationships between density functions
- 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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