Theoretical calculation of the low-lying doublet electronic states of the SrF molecule
Bibliographic record
Abstract
The potential energy curves of the low-lying doublet electronic states in the representation 2s+1 Λ (+/−) of the SrF molecule have been investigated by using the complete active space self-consistent field with multireference configuration interaction and multireference Rayleigh–Schrödinger perturbation theory methods. The harmonic frequency, ω e ; the internuclear distance, R e ; the dipole moment; and the electronic energy with respect to the ground state, T e , have been calculated for the considered electronic states. The eigenvalues, E v ; the rotational constants, B v ; and the abscissas of the turning points, R min and R max , have been investigated using the canonical functions approach. The comparison between the values of the present work and those available in the literature for several electronic states shows very good agreement. Nine new electronic states have been investigated here 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 | 0.000 | 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".