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Artículo
3D information-theoretic analysis of the simplest hydrogen abstraction reaction
(American Chemical Society, 2023-07-21)
We investigate the course of an elementary chemical reaction from the perspective of information theory in 3D space through the hypersurface of several information-theoretic (IT) functionals such as disequilibrium (D), ...
Artículo
Analysis of correlation and ionization from pair distributions in many-electron systems
(Springer, 2021-07-22)
Jensen–Shannon divergence is used to quantify the discrepancy between the Hartree–Fock pair density and the product of its marginals for different N-electron systems, enclosing neutral atoms (with nuclear charge Z = N) and ...
Artículo
Robust self-testing of quantum systems via noncontextuality Inequalities
(American Physical Society, 2019-06-26)
Characterizing unknown quantum states and measurements is a fundamental problem in quantum information processing. In this Letter, we provide a novel scheme to self-test local quantum systems using noncontextuality ...
Artículo
Entropic and complexity measures in atomic and molecular systems
(MDPI, 2023)
Both entropy and complexity are central concepts for the understanding and development of Information Theory, playing an essential role in the increasingly numerous applications in a huge diversity of fields. Adequate ...