Dipole moment surfaces and the mid- and far-IR spectra of N2-Ar
Bibliographic record
Abstract
An improved theoretical long-range dispersion plus induction dipole moment surface for N2-Ar is presented, and detailed numerical simulations are used to test its predictions against experimental far-IR and mid-IR spectra using two previously-reported potential energy surfaces. As was found in earlier work on the mid-IR spectrum using a pure induction dipole surface, the MMSVmod potential of Jäger et al. [J. Chem. Soc. Faraday Discuss. 97, 105 (1994)] yields distinctly better agreement with both experiments than does the XC-3 potential of Dham et al. [J. Chem. Phys. 103, 8477 (1995)]. However, the new dipole surface yields slightly poorer agreement with certain features of the experimental mid-IR and far-IR spectra, which suggests that the existing theoretical values and derivatives with respect to the bond length of some of the permanent moment and (hyper)polarizability properties of N2 need improvement.
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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) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| 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".