Ionization and harmonic generation in CO and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mtext>H</mml:mtext><mml:mn>2</mml:mn></mml:msub><mml:mtext>CO</mml:mtext></mml:math>and their cations with ultrashort intense laser pulses with time-dependent density-functional theory
Bibliographic record
Abstract
Molecular high-order-harmonic generation and molecular-orbital ionization rates are calculated for the CO, ${\text{H}}_{2}\text{CO}$, ${\text{CO}}^{+}$, and ${\text{H}}_{2}{\text{CO}}^{+}$ molecules using numerical solutions of Kohn-Sham equations of time-dependent density-functional theory in the nonlinear nonperturbative regime of laser-molecule interactions. Different laser-molecule orientations (\ensuremath{\theta} = 0, 90\ifmmode^\circ\else\textdegree\fi{}, and 180\ifmmode^\circ\else\textdegree\fi{}) and intensities (8.7 \ifmmode\times\else\texttimes\fi{} 10${}^{13}$, 3.5 \ifmmode\times\else\texttimes\fi{} 10${}^{14}$, and 1.4 \ifmmode\times\else\texttimes\fi{} 10${}^{15}$ W/cm${}^{2}$) are used. Results show that at wavelength \ensuremath{\lambda} = 800 nm, the ionization rate maxima are influenced for each molecular orbital by the interplay between its ionization potential, its geometrical shape, and the laser polarization axis. Molecular high-order-harmonic generation is further studied by a time profile analysis and a time-dependent electron localization function. A comparison of the data between CO and ${\text{H}}_{2}\text{CO}$ illustrates the importance of the protons on the electron distributions, ionization, and recollision dynamics in intense fields.
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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 | 0.001 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.001 | 0.001 |
| Science and technology studies | 0.001 | 0.001 |
| Scholarly communication | 0.000 | 0.001 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.001 | 0.000 |
| Insufficient payload (model declined to judge) | 0.006 | 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".