Three-dimensional time-profile analysis of high-order harmonic generation in molecules: Nuclear interferences in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msubsup><mml:mi mathvariant="normal">H</mml:mi><mml:mn>2</mml:mn><mml:mo>+</mml:mo></mml:msubsup></mml:math>
Bibliographic record
Abstract
We describe a numerical method used previously [Phys. Rev. A 70, 011404(R) (2004)] for solving the three-dimensional time-dependent Schr\"odinger equation for ${\mathrm{H}}_{2}^{+}$ (with fixed nuclei) in interaction with an intense, arbitrary oriented laser pulse. In this approach, we use the prolate spheroidal coordinate system, and expand the time-dependent wave function in a complex basis of Laguerre polynomials and Legendre functions. Our results indicate that ionization, excitation, and harmonic generation are strongly influenced by the orientation of the molecular axis with respect to the laser polarization axis. We evaluate the contribution of each nucleus to harmonic generation, as this permits a quantitative and nonambiguous assessment of interference effects as a function of molecular orientation. A time-profile analysis, using a Gabor transform of the harmonic spectrum around certain harmonics, shows that every half-cycle high-order harmonics are emitted by each nucleus when the electron wave packet returns for a recollision with the molecular core, thus confirming the strong field recollision model in molecules. In general, each nucleus emits both odd and even harmonics, but even harmonics are destroyed by interferences between contributions of each nucleus. These interferences are shown to be maximum at certain harmonic orders as a function of molecular orientation. A comparison of acceleration and dipole formulations of the harmonic emission process is made in order to assess the use of high-order harmonic generation for electron wave-function imaging.
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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 | 0.000 | 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) | 0.002 | 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".