Franck-Condon factors by counting perfect matchings of graphs with loops
Bibliographic record
Abstract
We show that the Franck-Condon Factor (FCF) associated with a transition between initial and final vibrational states in two different potential energy surfaces, having N and M vibrational quanta, respectively, is equivalent to calculating the number of perfect matchings of a weighted graph with loops that has P = N + M vertices. This last quantity is the loop hafnian of the (symmetric) adjacency matrix of the graph which can be calculated in O(P32P/2) steps. In the limit of small numbers of vibrational quanta per normal mode, our loop hafnian formula significantly improves the speed at which FCFs can be calculated. Our results more generally apply to the calculation of the matrix elements of a bosonic Gaussian unitary between two multimode Fock states having N and M photons in total and provide a useful link between certain calculations of quantum chemistry, quantum optics, and graph theory.
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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 | 0.003 | 0.013 |
| Meta-epidemiology (narrow) | 0.001 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 0.001 |
| Bibliometrics | 0.004 | 0.002 |
| Science and technology studies | 0.001 | 0.002 |
| Scholarly communication | 0.001 | 0.004 |
| Open science | 0.002 | 0.001 |
| Research integrity | 0.001 | 0.001 |
| Insufficient payload (model declined to judge) | 0.005 | 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".