Strong field ionization of many electron systems: A quantum chemical challenge
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
A non-variational Time-Dependent Multiconfiguration Self-Consistent Field (TDMCSCF) scheme has been developed [Nguyen-Dang T.T., Peters M., Wang S.-M., Sinelnikov E., and Dion F., J. Chem. Phys. 127, 174107 (2007)] to describe, by an ab-initio approach, the time-resolved electron dynamics of a laser-driven many-electron atomic or molecular system. As an L 2 method, this approach faces severe challenges when ionization and large-amplitude electronic motions are addressed. We present here an extension of this TDMCSCF scheme to include multiple ionization processes, using a Feschbach state-partitioning formalism, allowing the bound electrons’ dynamics to be treated by the L 2-TDMCSCF method, while the ionized electrons can be treated separately by an alternative approach. We present results of proof-of-principle calculations pertaining to the single and double ionizations of H 2 and discuss methodological issues such as the systematic corrections that could be brought, using this approach, to the strong field approximation (SFA).
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 | 0.000 | 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) | 0.000 | 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 it