<i>Ab initio</i> -based PES extrapolated using transferable atom–atom potentials, and predicted MW spectrum of the Ar–O <sub>2</sub> (X <sup>3</sup> Σ <sub>g</sub> <sup>−</sup> ) complex
Bibliographic record
Abstract
Abstract A high-level ab initio-based ground-state Ar–O2 potential energy surface has been obtained and employed to predict the microwave (MW) spectrum of the Ar–O2 van der Waals complex. Transferability of the atom–atom components of the total interaction has been explored by extrapolating the original ab initio potential energy surface via accurate ArO and ArN potentials deduced from the rotational parameters of the Ar–NO and Ar–N2 Van der Waals complexes. The extrapolated Ar–O2 potential energy surface has then been tested by comparison with experimental Ar–O2 scattering data. In addition, the extrapolated potential energy surfaces have been compared with other ab initio-derived and empirical atom–atom and atom–molecule potential energy surfaces in the literature.
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How this classification was reachedexpand
Full frame distilled prediction
Teacher imitationNot 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.
Codex and Gemma teacher scores by category
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.001 | 0.001 |
| Meta-epidemiology (broad) | 0.001 | 0.001 |
| Bibliometrics | 0.000 | 0.001 |
| Science and technology studies | 0.001 | 0.001 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.000 | 0.001 |
| Insufficient payload (model declined to judge) | 0.000 | 0.000 |
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.
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 teacher head, 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".