Near-resonant absorption in the time-dependent self-consistent field and multiconfigurational self-consistent field approximations
Why this work is in the frame
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Bibliographic record
Abstract
The linear response function has been derived and implemented in the time-dependent self-consistent field and multiconfigurational self-consistent field approximations with consideration made for the finite lifetimes of the electronically excited states. Inclusion of damping terms makes the response function convergent at all frequencies including near-resonances and resonances. Applications are the calculations of the electric dipole polarizabilities of hydrogen fluoride, methane, trans-butadiene, and three push–pull systems. The polarizability is complex with a real part related to the refractive index and an imaginary part describing linear absorption. The relevance of linear absorption in nonlinear optics is effectively expressed in terms of figures-of-merit. Such figures-of-merit have been calculated showing that the nonresonant linear absorption must be considered when the nonlinear optical quality of a material is to be assessed.
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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) | 0.000 | 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