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Record W2045811613 · doi:10.1063/1.2734973

A full analytic potential energy curve for the aΣ+3 state of KLi from a limited vibrational data set

2007· article· en· W2045811613 on OpenAlexaff
Houssam Salami, Amanda Ross, P. Crozet, W. Jastrzȩbski, P. Kowalczyk, Robert J. Le Roy

Bibliographic record

VenueThe Journal of Chemical Physics · 2007
Typearticle
Languageen
FieldPhysics and Astronomy
TopicCold Atom Physics and Bose-Einstein Condensates
Canadian institutionsUniversity of Waterloo
Fundersnot available
KeywordsAsymptoteSigmaPotential energyDiatomic moleculeAtomic physicsAb initioBond-dissociation energyDissociation (chemistry)OmegaFourier transformChemistryPhysicsMoleculeMathematicsPhysical chemistryQuantum mechanicsGeometry

Abstract

fetched live from OpenAlex

Fourier transform spectra of near-infrared laser-induced fluorescence in (39)K(6)Li show transitions to high vibrational levels of both the X (1)Sigma(+) and a (3)Sigma(+) electronic states. These include 147 transitions into six vibrational levels of the a (3)Sigma(+) state, which lie between 7 and 88 cm(-1) below the dissociation asymptote. Unfortunately, their energies span less than 30% of the well depth. However, fitting those data to eigenvalues of analytical model potential functions whose outer limbs incorporate the theoretically predicted long-range form, V(R) approximately D-C(6)R(6)-C(8)R(8), yields complete, plausible potential curves for this state. The best fits converge to remarkably similar solutions which indicate that D(e)=287(+/-4) cm(-1) and R(e)=4.99(+/-0.09) A for the a (3)Sigma(+) state of KLi, with omega(e)=47.3(+/-1.4) and 44.2(+/-1.5) cm(-1) for (39)K(6)Li and (39)K(7)Li, respectively. Properties of the resulting potential are similar to those of a published ab initio potential and are consistent with those of the analogous states of Li(2), K(2), Na(2), and NaK.

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 score0.284
Threshold uncertainty score0.372

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 science0.0010.000
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 head0.028
GPT teacher head0.269
Teacher spread0.241 · 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

Citations45
Published2007
Admission routes1
Has abstractyes

Explore more

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