Direct potential fit analysis of the X 1Σ+ ground state of CO
Bibliographic record
Abstract
A collection of 21,559 highly precise spectroscopic line positions from pure rotational and vibration-rotational spectra for seven isotopomers of carbon monoxide in the X1sigma+ ground electronic state has been employed in direct least-squares fits of the rovibrational Hamiltonian operator obtained from Watson's work [J. Mol. Spectrosc. 80, 411 (1980)] and that obtained by Herman and Ogilvie [Adv. Chem. Phys 103, 187 (1998)]. Fully analytical models are used for the various functions, including the Born-Oppenheimer internuclear potential function, and an account is taken of breakdown of the Born-Oppenheimer approximation. The resulting representations are more compact than currently available traditional Ukl/deltakl extended Dunham descriptions, and they generate quantum-mechanical eigenvalues that reproduce reliably the spectroscopic line positions to within the associated measurement uncertainties. Rayleigh-Schrodinger perturbation theory has been used to calculate highly accurate rotational and centrifugal distortion constants Bupsilon-Oupsilon for nine isotopomers of carbon monoxide. These constants are just as successful at reconstructing the observed spectroscopic information as the quantum-mechanical eigenvalues of the fitted Hamiltonian operators.
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How this classification was reachedexpand
Full frame machine prediction
Teacher imitationNot 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.
Distilled classifier scores by category (both heads)
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.001 |
| Meta-epidemiology (narrow) | 0.001 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.001 | 0.001 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.004 | 0.001 |
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.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from itClassification
machine, unvalidatedMachine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.
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".