Progress toward quantum technologies continues to provide essential new insights into the microscopic dynamics of systems in phase space. This highlights coherence effects whether these are due to ultrafast lasers whose energy width spans several states all the way to the output of quantum computing. Surprisal analysis has provided seminal insights into the probability distributions of quantum systems from elementary particle and also nuclear physics through molecular reaction dynamics to system biology. It is therefore necessary to extend surprisal analysis to the full quantum regime where it characterizes not only the probabilities of states but also their coherence. In principle, this can be done by the maximal entropy formalism, but in the full quantum regime, its application is far from trivial [S. Dagan and Y. Dothan, Phys. Rev. D 26, 248 (1982)] because an exponential function of non-commuting operators is not easily accommodated. Starting from an exact dynamical approach, we develop a description of the dynamics where the quantum mechanical surprisal, a linear combination of operators, plays a central role. We provide an explicit route to the Lagrange multipliers of the system and identify those operators that act as the dominant constraints.
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7 December 2020
Research Article|
December 02 2020
Surprisal of a quantum state: Dynamics, compact representation, and coherence effects
K. Komarova
;
K. Komarova
a)
1
The Fritz Haber Center for Molecular Dynamics and Institute of Chemistry, The Hebrew University of Jerusalem
, Jerusalem 91904, Israel
a)Author to whom correspondence should be addressed: ksenia.komarova@mail.huji.ac.il
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F. Remacle
;
F. Remacle
1
The Fritz Haber Center for Molecular Dynamics and Institute of Chemistry, The Hebrew University of Jerusalem
, Jerusalem 91904, Israel
2
Theoretical Physical Chemistry, UR MolSys B6c, University of Liège
, B4000 Liège, Belgium
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R. D. Levine
R. D. Levine
1
The Fritz Haber Center for Molecular Dynamics and Institute of Chemistry, The Hebrew University of Jerusalem
, Jerusalem 91904, Israel
3
Department of Chemistry and Biochemistry, University of California
, Los Angeles, California 90095, USA
and Department of Molecular and Medical Pharmacology, David Geffen School of Medicine, University of California
, Los Angeles, California 90095, USA
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a)Author to whom correspondence should be addressed: ksenia.komarova@mail.huji.ac.il
J. Chem. Phys. 153, 214105 (2020)
Article history
Received:
September 21 2020
Accepted:
November 09 2020
Citation
K. Komarova, F. Remacle, R. D. Levine; Surprisal of a quantum state: Dynamics, compact representation, and coherence effects. J. Chem. Phys. 7 December 2020; 153 (21): 214105. https://doi.org/10.1063/5.0030272
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