Towards molecular frame photoelectron angular distributions in polyatomic molecules from lab frame coherent rotational wavepacket evolution
Bibliographic record
Abstract
Abstract A theory and method for a matrix-based reconstruction of molecular frame (MF) photoelectron angular distributions (MFPADs) from laboratory frame (LF) measurements (LFPADs) is developed and basic applications are explored. As with prior studies of MF reconstruction, the experimental side of this protocol is based upon time-resolved LF measurements in which a rotational wavepacket is prepared and probed as a function of time via photoionization, followed by a numerical reconstruction routine. In contrast to other methodologies, the protocol presented here does not require determination of the photoionization matrix elements, and consequently takes the relatively simple numerical form of a matrix equation. Significantly, this simplicity allows the successful reconstruction of MFPADs for nonlinear polyatomic molecules with D nh point group symmetry. We numerically demonstrate this scheme for two realistic molecular photoionization cases: N 2 and C 2 H 4 . This new technique is expected to be generally applicable to a broad range of MF reconstruction problems involving photoionization of polyatomic molecules.
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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 | 0.001 | 0.002 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.001 | 0.000 |
| Science and technology studies | 0.000 | 0.001 |
| Scholarly communication | 0.001 | 0.001 |
| Open science | 0.001 | 0.001 |
| Research integrity | 0.000 | 0.001 |
| Insufficient payload (model declined to judge) | 0.002 | 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".