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Record W3163262261 · doi:10.1038/s42004-021-00510-5

Real-time observation of a correlation-driven sub 3 fs charge migration in ionised adenine

2021· article· en· W3163262261 on OpenAlexafffund
Erik P. Månsson, Simone Latini, Fabio Covito, Vincent Wanie, Mara Galli, Enrico Perfetto, Gianluca Stefanucci, Hannes Hübener, Umberto De Giovannini, Mattea Carmen Castrovilli, Andrea Trabattoni, Fabio Frassetto, Luca Poletto, J. B. Greenwood, François Légaré, M. Nisoli, Ángel Rubio, Francesca Calegari

Bibliographic record

VenueCommunications Chemistry · 2021
Typearticle
Languageen
FieldPhysics and Astronomy
TopicLaser-Matter Interactions and Applications
Canadian institutionsInstitut National de la Recherche Scientifique
FundersFonds de recherche du Québec – Nature et technologiesHorizon 2020 Framework ProgrammeDeutsche ForschungsgemeinschaftEngineering and Physical Sciences Research CouncilFlatiron HealthNatural Sciences and Engineering Research Council of CanadaEuropean CommissionAlexander von Humboldt-StiftungSimons Foundation
KeywordsAttosecondIonizationFemtosecondAtomic physicsElectronExcited stateExcitationChemistryElectronic correlationLaserMolecular physicsPhysicsIonOpticsUltrashort pulse

Abstract

fetched live from OpenAlex

Sudden ionisation of a relatively large molecule can initiate a correlation-driven process dubbed charge migration, where the electron density distribution is expected to rapidly move along the molecular backbone. Capturing this few-femtosecond or attosecond charge redistribution would represent the real-time observation of electron correlation in a molecule with the enticing prospect of following the energy flow from a single excited electron to the other coupled electrons in the system. Here, we report a time-resolved study of the correlation-driven charge migration process occurring in the nucleic-acid base adenine after ionisation with a 15-35 eV attosecond pulse. We find that the production of intact doubly charged adenine - via a shortly-delayed laser-induced second ionisation event - represents the signature of a charge inflation mechanism resulting from many-body excitation. This conclusion is supported by first-principles time-dependent simulations. These findings may contribute to the control of molecular reactivity at the electronic, few-femtosecond time scale.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.002
Threshold uncertainty score0.005

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0020.000

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.018
GPT teacher head0.267
Teacher spread0.249 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designBench or experimental
Domainnot available
GenreEmpirical

How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".

Quick stats

Citations70
Published2021
Admission routes2
Has abstractyes

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