Theoretical study of the structures, stabilities, and electronic properties of Na 2+ Xe<sub><i>n</i></sub> (<i>n</i> = 1–6) clusters
Bibliographic record
Abstract
The structures and stabilities of [Formula: see text]Xe n (n =1–6) clusters are investigated using an accurate ab initio approach and an analytic potential form for the Na + –Xe and Xe–Xe interactions. The potential energy surfaces of the [Formula: see text](X 2 [Formula: see text])–Xe n (n = 1–6) clusters are performed for a fixed distance of [Formula: see text](X 2 [Formula: see text]) in its equilibrium distance. For n = 1, the potential energy surfaces have been computed for an extensive range of the remaining two Jacobi coordinates, R and γ. In addition, we have determined the potential energy surfaces of 15 isomers of [Formula: see text](X 2 [Formula: see text])–Xe n (n = 1–6). The potential energy surfaces are used to extract spectroscopic information on the stability of the [Formula: see text](X 2 [Formula: see text])Xe n (n = 1–6) clusters. For each n, the stability of the different isomers is examined by comparing their potential energy surfaces. We find that the most stable isomers are C ∞v (11), D ∞h (21), C 2v (31), D 2h (41), C 3v (51), and D 3h (61). To our knowledge, there are no experimental and theoretical studies on the collision between the [Formula: see text](X 2 [Formula: see text]) alkali dimer and the xenon atom.
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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 | 0.001 |
| 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".