Spin–orbit branching in the photodissociation of HF and DF. II. A time-dependent wave packet study of vibrationally mediated photodissociation
Bibliographic record
Abstract
The vibrationally mediated photodissociation dynamics of HF and DF, following A 1Π←X 1Σ+ electronic excitation, are examined using time-dependent wave packet techniques. Predictions of the branching fraction for the formation of excited state fluorine, F(2P1/2), are made for a wide range of excitation energies and for the initial vibrational states v=1, 2, and 3. The preceding article (Ref. 33) discusses the underlying theory and presents results for photodissociation from the ground vibrational state (v=0). The calculated branching fraction for HF photodissociation from the v=3 vibrational state agrees well with the value of 0.42±0.03 measured experimentally at 193.3 nm by Zhang et al. [J. Chem. Phys. 104, 7027 (1996)]. The results are discussed in context with the corresponding results for HCl and DCl.
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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".