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.
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.
How this classification was reachedexpand
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) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.001 |
| Science and technology studies | 0.001 | 0.001 |
| Scholarly communication | 0.001 | 0.001 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.001 |
| Insufficient payload (model declined to judge) | 0.003 | 0.001 |
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; both teacher heads agree on what is shown here.
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".