<i>Ab initio</i> multireference configuration interaction study of the electronic spectra of carbon chain anions C2n+1− (n=2–5)
Bibliographic record
Abstract
Multireference configuration interaction calculations on the vertical transition energies of the low-lying excited states in carbon chain anions C2n+1− (n=2–5) are carried out. Calculated vertical term energies confirm the previously suggested assignments to the first and second Π2←X2Π band systems in matrix isolation spectroscopy. The lowest 1 2Π←X 2Π electronic transitions of C5−, C7−, C9−, and C11−, are calculated at 2.66, 2.27, 1.90, and 1.54 eV, respectively, with large oscillator strengths. Relevant theoretical evidences for a more detailed assignment of the observed transitions are presented. Generally, corresponding excitation energies in the C2n+1− carbon chain anions are found descending with an increase of the chain. The equilibrium geometries and harmonic vibrational frequencies of these linear carbon chains determined by the density functional theory approach also show reasonable agreement with available experimental data.
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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 | 0.001 |
| 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".