On density function coordinate matrix
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Publication:364662
DOI10.1007/s10910-013-0186-zzbMath1312.81016WikidataQ62511123 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 matrix; density function; basis sets; charge and bond order matrix; density function coordinate matrix; density function coordinates; LCAO-MO
81V55: Molecular physics
92E10: Molecular structure (graph-theoretic methods, methods of differential topology, etc.)
81P16: Quantum state spaces, operational and probabilistic concepts
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On the nature of the collective quantum mechanical description of molecular atoms and bonds, A postulate involving quantum mechanical momentum in position space, density function expression of the kinetic energy and Heisenberg's uncertainty relation, Enfolded conformational spaces: definition of the chemical quantum mechanical multiverse under Born-Oppenheimer approximation, 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
