Direct potential fit analysis of the X 1Σg+ state of Rb2: Nothing else will do!
Bibliographic record
Abstract
High resolution A-X emission data involving vibrational levels of the ground X 1Σg+ electronic state up to v″=113, spanning 99.8% of the potential well, have been acquired for three isotopomers of Rb2. While a good fit (σ̄f=1.03) to the 12 148 transition frequencies (with uncertainties ±0.001 cm−1) is obtained from an unconstrained combined-isotopomer Dunham-type analysis, it requires a large number (62) of expansion parameters, and the resulting empirical centrifugal distortion constants (CDCs) are unreliable for extrapolation to higher-J. Moreover, Dunham expansion fits using constrained theoretical values of the first six CDCs (up to Ov) fail to properly represent the data, as even higher-order CDCs are required. However, a direct fit of these data to an analytical “modified Lennard-Jones” potential energy function involving only 16 fitted parameters yields essentially the same quality of fit as did the unconstrained Dunham fit, and should be reliable for extrapolation to arbitrarily high J. This potential form incorporates the proper R−6 asymptotic behavior of the potential, and is constrained to have the theoretically predicted C6 dispersion coefficient. Although the dataset involves the three isotopomers 85,85Rb2, 85,87Rb2, and 87,87Rb2, none of the present analyses was able to determine any Born–Oppenheimer breakdown effects.
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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 | 0.001 |
| Bibliometrics | 0.001 | 0.001 |
| Science and technology studies | 0.001 | 0.000 |
| Scholarly communication | 0.001 | 0.001 |
| Open science | 0.001 | 0.001 |
| Research integrity | 0.001 | 0.001 |
| Insufficient payload (model declined to judge) | 0.012 | 0.002 |
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".