Natural atomic probabilities in quantum information theory

DOI10.1016/j.cam.2009.02.086zbMath1178.81032OpenAlexW1997124910MaRDI QIDQ1044641

Rodolfo O. Esquivel, Nelson Flores-Gallegos, Edmundo M. Carrera

Publication date: 18 December 2009

Published in: Journal of Computational and Applied Mathematics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.cam.2009.02.086

zbMATH Keywords

relative entropyquantum information theoryab initio calculationsatoms in molecules

Mathematics Subject Classification ID

Modes of computation (nondeterministic, parallel, interactive, probabilistic, etc.) (68Q10) Quantum computation (81P68) Molecular physics (81V55)

Uses Software

• GAUSSIAN

Cites Work

• Unnamed Item
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• Divergence measures based on the Shannon entropy
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• Experimental quantum teleportation
• On Information and Sufficiency
• Atoms in molecules and crystals
• 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
• Entanglement and electron correlation in quantum chemistry calculations