Theory of strong-field sequential double ionization of polyatomic molecules

Yuen, C. H.; Lin, C. D.

doi:10.1103/physreva.109.033108

Title: Theory of strong-field sequential double ionization of polyatomic molecules

Journal Article · 13 March 2024 · Physical Review A

DOI: https://doi.org/10.1103/physreva.109.033108 · OSTI ID:2323915

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Kansas State University, Manhattan, KS (United States); Kansas State University
Kansas State University, Manhattan, KS (United States)

Understanding of strong-field sequential double ionization (SDI) of molecules by a highly intense infrared laser pulse could be the key to observing electron motion in molecules in the attosecond to femtosecond timescale. Based on a novel density matrix approach for SDI (DM-SDI), a recent theoretical study has shown that SDI can be used as a probe to monitor the changes in vibronic coherence in homonuclear diatomic molecules. In this article, we extend the DM-SDI model to general molecules that could possess permanent dipole moments and arbitrary symmetry. We apply the model to SDI of a water molecule and identify the formation pathway of individual dication states. We further deduce that kinetic energy release spectra from two- and three-body fragments could carry the signature of vibronic coherence between the lowest two states of the water cation. Furthermore, our results suggest that observables from the SDI probe can be interpreted intuitively with only the knowledge of electronic structures of populated ionic states, making the SDI probe to be a highly desirable probing scheme for vibronic coherence in generic molecules.

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Research Organization:: Kansas State University, Manhattan, KS (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)

Grant/Contract Number:: FG02-86ER13491

OSTI ID:: 2323915

Alternate ID(s):: OSTI ID: 2474365

Journal Information:: Physical Review A, Journal Name: Physical Review A Journal Issue: 3 Vol. 109; ISSN 2469-9926

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Title: Theory of strong-field sequential double ionization of polyatomic molecules

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