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>
Why this work is in the frame
A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.
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.
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.
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 | 0.001 | 0.000 |
| Meta-epidemiology (narrow) | 0.001 | 0.001 |
| Meta-epidemiology (broad) | 0.001 | 0.001 |
| Bibliometrics | 0.000 | 0.001 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.001 |
| Open science | 0.001 | 0.001 |
| Research integrity | 0.000 | 0.001 |
| Insufficient payload (model declined to judge) | 0.005 | 0.003 |
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