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Record W1974431983 · doi:10.1063/1.3315418

Dipole oscillator strength distributions with improved high-energy behavior: Dipole sum rules and dispersion coefficients for Ne, Ar, Kr, and Xe revisited

2010· article· en· W1974431983 on OpenAlexafffund
Ashok Kumar, Ajit J. Thakkar

Bibliographic record

VenueThe Journal of Chemical Physics · 2010
Typearticle
Languageen
FieldPhysics and Astronomy
TopicAdvanced Chemical Physics Studies
Canadian institutionsUniversity of New Brunswick
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsOscillator strengthDipoleKryptonAtomic physicsSum rule in quantum mechanicsNeonTransition dipole momentXenonAb initioArgonMoment (physics)ChemistryPhysicsComputational physicsQuantum mechanics

Abstract

fetched live from OpenAlex

The construction of the dipole oscillator strength distribution (DOSD) from theoretical and experimental photoabsorption cross sections combined with constraints provided by the Kuhn-Reiche-Thomas sum rule and molar refractivity data is a well-established technique that has been successfully applied to more than 50 species. Such DOSDs are insufficiently accurate at large photon energies. A novel iterative procedure is developed that rectifies this deficiency by using the high-energy asymptotic behavior of the dipole oscillator strength density as an additional constraint. Pilot applications are made for the neon, argon, krypton, and xenon atoms. The resulting DOSDs improve the agreement of the predicted S(2) and S(1) sum rules with ab initio calculations while preserving the accuracy of the remainder of the moments. Our DOSDs exploit new and more accurate experimental data. Improved estimates of dipole properties for these four atoms and of dipole-dipole C(6) and triple-dipole C(9) dispersion coefficients for the interactions among them are reported.

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 distilled prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation 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 score0.099
Threshold uncertainty score0.572

Codex and Gemma teacher scores by category

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)0.0000.000

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 head0.005
GPT teacher head0.227
Teacher spread0.222 · 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 teacher head, 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

Citations49
Published2010
Admission routes2
Has abstractyes

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