MétaCan
Menu
Back to cohort
Record W2038197443 · doi:10.1063/1.1331637

Electronic continua in time-resolved photoelectron spectroscopy. II. Corresponding ionization correlations

2001· article· en· W2038197443 on OpenAlexaff
Michael Schmitt, Stefan Lochbrunner, James P. Shaffer, Jakob Juul Larsen, Marek Z. Zgierski, Albert Stolow

Bibliographic record

VenueThe Journal of Chemical Physics · 2001
Typearticle
Languageen
FieldPhysics and Astronomy
TopicAdvanced Chemical Physics Studies
Canadian institutionsSteacie Institute for Molecular Sciences
FundersDeutsche Forschungsgemeinschaft
KeywordsIonizationInternal conversionIonic bondingChemistryPhenanthreneVibronic couplingIonPhotoionizationElectronic structureX-ray photoelectron spectroscopyAtomic physicsLimitingSpectroscopyMolecular physicsMoleculeSpectral lineComputational chemistryPhysicsNuclear magnetic resonanceQuantum mechanics

Abstract

fetched live from OpenAlex

We investigate further the role of ion electronic continua in time-resolved photoelectron spectroscopic measurements of ultrafast nonadiabatic coupling. In the preceding paper [Blanchet, Zgierski, and Stolow, J. Chem. Phys. 114, 1194 (2000)], the limiting case of complementary ionization correlations permitted a disentangling of electronic from vibrational dynamics. Here we examine the other limiting case in which the nonadiabatically coupled sates (e.g., S2 and S1) correlations correspond to the same ionic continua, presumably an unfavorable case. We use ultrafast internal conversion in the polyaromatic hydrocarbons phenanthrene and naphthalene as examples. In this situation, the geometry changes (displacements) upon nonadiabatic crossing and upon ionization will strongly affect the ability to disentangle electronic from vibrational dynamics. Particularly, phenanthrene and naphthalene are both very rigid molecules and have small displacements upon internal conversion and ionization, still allowing for direct monitoring of the S2 state internal conversion rate.

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)0.001
metaresearch head score (Gemma)0.003
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: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.002
Threshold uncertainty score0.008

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0010.003
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0010.001
Science and technology studies0.0000.001
Scholarly communication0.0010.002
Open science0.0010.001
Research integrity0.0000.001
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 head0.006
GPT teacher head0.243
Teacher spread0.237 · 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

Citations67
Published2001
Admission routes1
Has abstractyes

Explore more

Same venueThe Journal of Chemical PhysicsSame topicAdvanced Chemical Physics StudiesFrench-language works237,207