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Record W3006507519 · doi:10.1103/physreva.101.023408

Photoabsorption, photoionization, and Auger processes at the carbon<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>K</mml:mi></mml:mrow></mml:math>edge in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi mathvariant="normal">C</mml:mi><mml:msub><mml:mi mathvariant="normal">H</mml:mi><mml:mn>3</mml:mn></mml:msub><mml:mi mathvariant="normal">I</mml:mi></mml:mrow></mml:math>

2020· article· lv· W3006507519 on OpenAlexaff
Ruaridh Forbes, S. T. Pratt, A. De Fanis, Aleksandar R. Milosavljević, Christophe Nicolas, John D. Bozek, Nicholas A. Besley, D.M.P. Holland

Bibliographic record

VenuePhysical review. A/Physical review, A · 2020
Typearticle
Languagelv
FieldPhysics and Astronomy
TopicAdvanced Chemical Physics Studies
Canadian institutionsUniversity of Ottawa
FundersBasic Energy SciencesScience and Technology Facilities CouncilOffice of ScienceEngineering and Physical Sciences Research CouncilU.S. Department of Energy
KeywordsPhotoionizationAtomic physicsExcited stateRydberg formulaPhysicsSpectral lineValence (chemistry)IonizationIonQuantum mechanics

Abstract

fetched live from OpenAlex

The dynamics of photoabsorption, photoionization, and the associated Auger decay have been investigated at the carbon $K$ edge in methyl iodide ($\mathrm{C}{\mathrm{H}}_{3}\mathrm{I}$) using linearly polarized synchrotron radiation. Ion yield measurements were used to investigate transitions in the pre-edge region due to excitations into either unoccupied valence or Rydberg states. The assignment of these transitions was achieved through comparison with theoretical x-ray absorption spectra calculated using time-dependent density functional theory, within the Tamm-Dancoff approximation. Several of the Rydberg states belonging to series converging onto the $\mathrm{C}1s$ ionization limit exhibit significant vibrational structure that is also interpreted using theoretical calculations. The $\mathrm{C}1s$ in $\mathrm{C}{\mathrm{H}}_{3}\mathrm{I}$ photoelectron spectrum was measured, and the observed vibrational structure was assigned with the aid of theoretical predictions. Polarization dependent, resonantly excited, valence shell photoelectron spectra were recorded at photon energies coinciding with the $\mathrm{C}\phantom{\rule{0.16em}{0ex}}1s\ensuremath{\rightarrow}{\ensuremath{\sigma}}^{*}, \mathrm{C}\phantom{\rule{0.16em}{0ex}}1s\ensuremath{\rightarrow}6s{a}_{1}$ and $\mathrm{C}\phantom{\rule{0.16em}{0ex}}1s\ensuremath{\rightarrow}6pe$ transitions in $\mathrm{C}{\mathrm{H}}_{3}\mathrm{I}$, thereby allowing photoelectron angular distributions to be determined. The nonresonantly excited C(KVV) Auger electron spectrum was measured and some of the features observed at high kinetic energies were attributed to transitions into valence orbitals possessing significant iodine character. The contributions of participator and spectator Auger decay to the resonantly excited photoelectron spectra have been assessed. The influence of participator decay appears minor whereas spectator decay results in the enhanced population of satellite states.

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)0.001
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 score0.006
Threshold uncertainty score0.020

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.001
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0010.001
Scholarly communication0.0000.001
Open science0.0010.000
Research integrity0.0000.001
Insufficient payload (model declined to judge)0.0060.001

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 head0.016
GPT teacher head0.258
Teacher spread0.242 · 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

Citations9
Published2020
Admission routes1
Has abstractyes

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