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arXiv · 2508.10475

Visualizing intense laser field driven electron dynamics in a multielectron molecule: dynamic electron localization, bonding properties and multiple ionization bursts

L. Bauerle·A. Jaron
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Abstract

The paper presents results and discussion of electron dynamics in molecules in which intense ultrafast pulse drives multiphoton ionization, high harmonic generation, and charge resonance due to the Rabbi flopping in the regime of Charge Resonance Enhanced Ionization (CREI) for the ground state molecular nitrogen cation. We show how ionization rates oscillate with oscillations of envelope reflecting modulation of the population of the excited molecular orbital. We observe the increase in ionization due to mechanisms analogous to Charge Resonance Enhanced Ionization (CREI) and also uncover also the time periods of suppressed ionization. Electronic flux calculations illustrate these changes and help reveal multiple ionization bursts which are for the first time reported for a multielectron non-stretched/ non-dissociating molecule. Furthermore, we discuss the effects of ultrafast intense laser pulses on the bonding properties of a nitrogen molecular ion in these conditions through detailed analysis of electron density and electron density differences, time-dependent average local energy, and time-dependent electron localization function. We illustrate the main characteristics of changes of the electron density that leads to laser induced dynamics of bonding and how the standard criteria lead to the transient properties of double, triple, and lone pair bonding characteristics.

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L. Bauerle, A. Jaron. 2025-08-14. Visualizing intense laser field driven electron dynamics in a multielectron molecule: dynamic electron localization, bonding properties and multiple ionization bursts. https://arxiv.org/abs/2508.10475

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