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Volumn 233, Issue 6, 2010, Pages 1483-1490

Natural atomic probabilities in quantum information theory

Author keywords

Ab initio calculations; Atoms in molecules; Quantum information theory; Relative entropy

Indexed keywords

ATOMS; CALCULATIONS; CHEMICAL ANALYSIS; COMPUTATION THEORY; ENTROPY; MOLECULES; PROBABILITY; QUANTUM CHEMISTRY; QUANTUM COMMUNICATION; QUANTUM COMPUTERS; QUANTUM CRYPTOGRAPHY; QUANTUM ENTANGLEMENT; QUANTUM OPTICS; QUANTUM THEORY;

EID: 80051546791     PISSN: 03770427     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cam.2009.02.086     Document Type: Conference Paper
Times cited : (6)

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    • The physical consequences of our Hilbert partitioning scheme and the impact of the computational effort will be analyzed elsewhere.
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    • j) with non-marginal {p}. The chemical and physical consequences of the definitions above will be analyzed elsewhere
    • H- and S-type measures are von Neumann entropies satisfying equality in Eq. (6), H-entropies obey definitions of classical information theory and both measures account for entanglement effects [35]. H(A:B) stands for a marginal mutual information measure as H (A : B)= ∑i∑jp(ai, bj) in p(ai, bj)/p(ai)p(bj) with marginal {p}, whereas S (A|B) stands for a non-marginal relative information measure as S (A|B) = ∑i∑jp(ai) In p(ai)/p(bj) with non-marginal {p}. The chemical and physical consequences of the definitions above will be analyzed elsewhere.
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    • submitted for publication
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    • Flores-Gallegos, N.1    Esquivel, R.O.2    Iuga, C.3    Carrera, E.4    Angulo, J.C.5    Antolín, J.6


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