The electronic band structure of polydiacetylenes with second- and third-neighbor hopping interaction
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Bibliographic record
Abstract
We have studied the energy band structure of polydiacetylenes (PDAs) using the extensional Hückel Hamiltonian that includes the nonnearest-neighbor hopping interactions. The results show that with increase in the nonnearest-neighbor hopping interaction parameters ρ 1 and ρ 2 , (i) the energy band symmetry is broken and the energy gap 2Δ has changed, (ii) the locations and the widths of energy bands have changed and their shifts depend mainly on ρ 1 (next-neighbor hopping interactions), and (iii) the energy gap 2Δ depends mainly on ρ 2 (third-neighbor hopping interactions), the effects of the nonnearest-neighbor hopping interaction on the band structure are discussed. PACS No.: 31.15Ct
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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 it