Theoretical calculation of the electronic states below 326 000 cm<sup>−1</sup> of the NaHe molecule
Bibliographic record
Abstract
The potential energy curves have been investigated for the lowest 54 electronic states in the [Formula: see text] representation of the molecule NaHe via the multireference configuration interaction method (MRCI) and second-order multireference perturbation theory (RPST2-RS2). The harmonic vibrational frequency, ω e , the internuclear distance, R e, the electronic energy with respect to the ground state, T e , and the permanent dipole moment, μ, have been calculated. The positions of R min and R max and their minimum and maximum energies E min and E max with respect to the dissociation asymptote have been determined for the considered electronic states. The comparison of our investigated values to the theoretical and experimental data available in the literature shows a good agreement. Forty-three electronic states have been studied theoretically in the present work for the first time.
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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 | 0.001 | 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".