A new path towards reconstructing real-space geometries of polyatomic molecules undergoing strong field laser-induced Coulomb explosion

A new path towards reconstructing real-space geometries of polyatomic molecules undergoing strong field laser-induced Coulomb explosion | Research Square window.SnipcartSettings = { analytics: { enabled: false } }; (function() { var accessVector = localStorage.getItem('access_vector') || ''; window.dataLayer = window.dataLayer || []; if (accessVector) { window.dataLayer.push({ user: { profile: { profileInfo: { snid: accessVector } } } }); } })(); (function(w,d,s,l,i){w[l]=w[l]||[];w[l].push({'gtm.start':new Date().getTime(),event:'gtm.js'});var f=d.getElementsByTagName(s)[0],j=d.createElement(s),dl=l!='dataLayer'?'&l='+l:'';j.async=true;j.src='https://www.googletagmanager.com/gtm.js?id='+i+dl;f.parentNode.insertBefore(j,f);})(window,document,'script','dataLayer','GTM-K279D39R'); Browse Preprints In Review Journals COVID-19 Preprints AJE Video Bytes Research Tools Research Promotion AJE Professional Editing AJE Rubriq About Preprint Platform In Review Editorial Policies Our Team Advisory Board Help Center Sign In Submit a Preprint Cite Share Download PDF Article A new path towards reconstructing real-space geometries of polyatomic molecules undergoing strong field laser-induced Coulomb explosion Joseph Sanderson, Aydin Ashrafi-Belgabad, Reza Karimi, Mohammad Monfared, and 10 more This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-4410250/v1 This work is licensed under a CC BY 4.0 License Status: Published Journal Publication published 19 Dec, 2024 Read the published version in Communications Physics → Version 1 posted You are reading this latest preprint version Abstract The connection between the initial structure and final momenta of ionic fragments from the Coulomb explosion of a multiatomic molecule is investigated experimentally and theoretically for OCS. We show for the first time that an approach using time-dependent density functional theory (TDDFT) is able to rigorously model the ionization dynamics of a small molecule in the tunneling regime, reproducing the energy release and the Newton plot momentum patterns of an experiment in which OCS is ionized to the 6+ charge state using 7 fs laser pulses of 800 nm. The result suggests a pathway to unprecedented understanding of the behavior of molecules, during strong field multiple ionization and the possibility of precision imaging of real-space molecular geometries, using tabletop lasers. Physical sciences/Physics/Atomic and molecular physics/Atomic and molecular interactions with photons Physical sciences/Physics/Chemical physics Coulomb explosion imaging Ultrafast optics TDDFT Molecular geometry Newton plot Dalitz plot Full Text Additional Declarations There is NO Competing Interest. Supplementary Files Supplementalmaterial.rar Cite Share Download PDF Status: Published Journal Publication published 19 Dec, 2024 Read the published version in Communications Physics → Version 1 posted You are reading this latest preprint version Research Square lets you share your work early, gain feedback from the community, and start making changes to your manuscript prior to peer review in a journal. As a division of Research Square Company, we’re committed to making research communication faster, fairer, and more useful. We do this by developing innovative software and high quality services for the global research community. Our growing team is made up of researchers and industry professionals working together to solve the most critical problems facing scientific publishing. Also discoverable on Platform About Our Team In Review Editorial Policies Advisory Board Help Center Resources Author Services Accessibility API Access RSS feed Manage Cookie Preferences © Research Square 2026 | ISSN 2693-5015 (online) Privacy Policy Terms of Service Do Not Sell My Personal Information {"props":{"pageProps":{"initialData":{"identity":"rs-4410250","acceptedTermsAndConditions":true,"allowDirectSubmit":false,"archivedVersions":[],"articleType":"Article","associatedPublications":[],"authors":[{"id":304503038,"identity":"cc12b62b-c13f-418c-8e6e-49aca3e3ee02","order_by":0,"name":"Joseph 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