Work

Surprisal Analysis-Based Compaction of Entangled Molecular States of Maximal Entropy

Year: 2026

Type: article

Abstract: An attosecond optical pulse can entangle coherently related states of different characters, such as electronic and vibrational, in a molecular system. Using a quantum information theoretic approach, we explicitly define and discuss the surprisal of such a system in the maximal entropy formalism and identify the constraints and their conjugate Lagrange multipliers. Surprisal analysis shows how these constraints become fewer and simpler in the sudden approximation of the dynamics, a limit often valid for an ultrafast excitation. The optically accessible lower electronic states of N2 are used as a numerical example to show the compaction of the dynamics from On2 down to On constraints, where n is the number of vibronic states. The von Neumann entropy is used to confirm the fidelity of the compaction.

Source: Entropy

DOI: 10.3390/e28020192

Authors: James R. Hamilton, Francoise Remacle, Raphael D. Levine

Institutions: University of Liège, Hebrew University of Jerusalem, University of California, Los Angeles

Language: English

Topic: Laser-Matter Interactions and Applications

Subfield: Atomic and Molecular Physics, and Optics

Field: Physics and Astronomy

Domain: Physical Sciences

Open Access status: gold

Estimated APC paid: $3,137

Funder: Fonds De La Recherche Scientifique - FNRS