Interelectron magnetic coupling in electrides with one-dimensional cavity-channel geometry
Bibliographic record
Abstract
Dye and coworkers [J. L. Dye, Acc. Chem. Res., 2009, 42, 1564] established experimentally that the strength of interelectron coupling in electrides with open intercavity channels critically depends on the channel diameter but is less sensitive to the channel length. We explain these observations by theoretical analysis of model electrides with a simple geometry. Our model consists of two electrons confined in a dogbone-shaped cavity--two spherical cages connected by a cylindrical channel. The coupling constant J is obtained from the calculated singlet-triplet gap of this system. By approximating the confining potential of the dogbone-shaped cavity with a one-dimensional double-well potential we show that ln(-J/k(B)), where k(B) is the Boltzmann constant, is a near-linear function of √((1/s) - (1/S)), where s and S are the cross-sectional areas of the channel and the cages, respectively. This prediction is in excellent agreement with the experiment for real electrides that have essentially one-dimensional cavity-channel networks.
Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.
How this classification was reachedexpand
Full frame machine prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.
Distilled classifier scores by category (both heads)
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.001 |
| 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 | 0.001 |
| Open science | 0.001 | 0.001 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.001 | 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 source (direct Gemma or distilled Codex), 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".