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Record W1527772258 · doi:10.1063/1.1607313

Potential energy, Λ doubling and Born–Oppenheimer breakdown functions for the B 1Πu “barrier” state of Li2

2003· article· en· W1527772258 on OpenAlexaff
Yiye Huang, Robert J. Le Roy

Bibliographic record

VenueThe Journal of Chemical Physics · 2003
Typearticle
Languageen
FieldPhysics and Astronomy
TopicAdvanced Chemical Physics Studies
Canadian institutionsUniversity of Waterloo
Fundersnot available
KeywordsPotential energyBorn–Oppenheimer approximationAsymptoteAtomic physicsPhysicsQuantum tunnellingDiatomic moleculePerturbation theory (quantum mechanics)Perturbation (astronomy)ChemistryRectangular potential barrierQuantum mechanicsMathematicsMathematical analysis

Abstract

fetched live from OpenAlex

The potential energy curve for the B 1Πu state of Li2 has a rotationless barrier which protrudes above its energy asymptote. A direct fit to spectroscopic data for all three isotopomers of this species, including Λ-doubling splittings and tunneling predissociation line widths, is used to determine an accurate analytic potential energy function plus Born–Oppenheimer breakdown and Λ-doubling perturbation radial strength functions for this system. This analysis introduces an analytic model for representing a potential function with a rotationless barrier, and shows that a radial perturbation function treatment can determine the symmetry of the perturbing state giving rise to Λ-doubling splittings.

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: Simulation or modeling · Consensus signal: Simulation or modeling
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.004
Threshold uncertainty score0.012

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.001
Meta-epidemiology (narrow)0.0010.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0020.001
Science and technology studies0.0010.001
Scholarly communication0.0010.001
Open science0.0010.001
Research integrity0.0010.001
Insufficient payload (model declined to judge)0.0030.000

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 head0.010
GPT teacher head0.239
Teacher spread0.229 · 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 designSimulation or modeling
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

Citations62
Published2003
Admission routes1
Has abstractyes

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