From 04bed237000e01670176e81e836cfac9cb5dad76 Mon Sep 17 00:00:00 2001 From: John Travers Date: Wed, 4 Nov 2026 11:06:06 +0000 Subject: [PATCH 1/2] Move the roadmap's informal items to issues, and link solprop The roadmap now lists only accepted and draft OEPs. Its items are issues #10 to #31, the papers wanted have their own page, and the pages that pointed at the roadmap point at those. OEPs 7 and 8 name their tracking issues. The propagation page gains a section on solprop as the worked example of its interface, with links to its manual and SEPs, and the overview names it. The gallery helpers now describe solprop's old values as former, not current. Co-Authored-By: Claude Opus 5.5 --- README.md | 5 +- docs/accuracy.md | 2 +- docs/contributing.md | 3 +- docs/developers/index.md | 5 +- docs/developers/testing.md | 3 +- docs/gallery/_helpers.py | 16 +- docs/introduction/overview.md | 7 +- docs/nonlinear_accuracy.md | 2 +- docs/oeps/index.md | 7 +- .../oep-0007-strong-field-dissociation.md | 1 + .../oep-0008-bound-two-photon-response.md | 10 +- docs/propagation.md | 25 ++ docs/roadmap.md | 401 +----------------- docs/user-guide/two-photon-excitation.md | 3 +- docs/wanted.md | 154 +++++++ 15 files changed, 232 insertions(+), 412 deletions(-) create mode 100644 docs/wanted.md diff --git a/README.md b/README.md index cedb85a..b40d018 100644 --- a/README.md +++ b/README.md @@ -153,8 +153,9 @@ simulations. - **Every published formula** of the curated sources, available by name for comparison. -The [roadmap](https://optmat.readthedocs.io/en/latest/roadmap.html) describes what comes -next: +The [issues](https://github.com/LupoLab/optmat/issues) track what comes next, and the +[roadmap](https://optmat.readthedocs.io/en/latest/roadmap.html) lists the enhancement +proposals: - the models of the other solids, and their two-photon absorption, ionisation and damage; - the molecules in the extreme ultraviolet; diff --git a/docs/accuracy.md b/docs/accuracy.md index ccf6757..84c56b8 100644 --- a/docs/accuracy.md +++ b/docs/accuracy.md @@ -255,7 +255,7 @@ outside this project. ## What would improve it -The papers listed on the {doc}`roadmap` under *Papers and data we are looking for*: +The papers listed under {doc}`wanted`: the vacuum-ultraviolet refractometry of the 1960s-70s, converged ab initio dispersion and magnetic susceptibilities for krypton and xenon, and more dispersion and infrared data for the polyatomic gases. diff --git a/docs/contributing.md b/docs/contributing.md index ec96ea7..f11b733 100644 --- a/docs/contributing.md +++ b/docs/contributing.md @@ -16,7 +16,8 @@ Choose the workflow for your change: just as welcome. A propagation that goes wrong with the right values belongs with [solprop](https://github.com/LupoLab/solprop/issues). - **Offer a paper or data** that optmat lacks with the - [source form](https://github.com/LupoLab/optmat/issues/new?template=offer_a_source.yml). + [source form](https://github.com/LupoLab/optmat/issues/new?template=offer_a_source.yml); + {doc}`wanted` lists what would help most. - **Plan work** in an [issue](https://github.com/LupoLab/optmat/issues). `CONTRIBUTING.md` says what to check first, the sections to use and the labels. - **Add or correct data** through a source record, an extraction script that writes the diff --git a/docs/developers/index.md b/docs/developers/index.md index c979f95..07ec1d6 100644 --- a/docs/developers/index.md +++ b/docs/developers/index.md @@ -30,8 +30,8 @@ fits, packaging, and public interfaces. For a data contribution, read {doc}`/data` and {doc}`/register`, then follow {doc}`/contributing`. For model work, first read the relevant scientific chapter in the {doc}`/user-guide/index`; {doc}`/fitting` explains the gas dispersion fits. -A major change follows the enhancement-proposal process. The roadmap records -accepted proposals, drafts, and remaining work. +A major change follows the enhancement-proposal process. The roadmap lists accepted +and draft proposals, and planned work is in the [issues](https://github.com/LupoLab/optmat/issues). ```{toctree} :maxdepth: 1 @@ -45,6 +45,7 @@ register releasing ../oeps/index ../roadmap +../wanted ``` ## Package architecture diff --git a/docs/developers/testing.md b/docs/developers/testing.md index ac30746..14752b9 100644 --- a/docs/developers/testing.md +++ b/docs/developers/testing.md @@ -88,7 +88,8 @@ are regression tolerances, not scientific error bars or guarantees on every plat Mutation tests verify that these checks reject changed model parameters, versions, metadata, outputs, dataset selections, scales and objective values, while accepting round-off. The stored models and runtime identity hashes are not rounded or rewritten -to make the tests pass. Broader platform verification remains in {doc}`/roadmap`. +to make the tests pass. Broader platform verification remains open +([#30](https://github.com/LupoLab/optmat/issues/30)). `tests/solid/test_solid_fitting.py` compares each fresh solid fit (`fit/SiO2`, `fit/Si`) with its stored record in the same way (TC-1089): diff --git a/docs/gallery/_helpers.py b/docs/gallery/_helpers.py index e62b2dc..9cc72f2 100644 --- a/docs/gallery/_helpers.py +++ b/docs/gallery/_helpers.py @@ -371,10 +371,10 @@ def fit_overview(name: str, *, xlim: tuple[float, float]) -> Figure: def solprop_defaults() -> dict[str, Model]: - """Return solprop's current default formula for each gas fitted here. + """Return solprop's former default formula for each gas fitted here. - The mapping is the one ``tests/test_solprop_parity.py`` checks (TC-100); - solprop reads Ermolov's helium coefficients at 1 atm, so that model is re-referred. + From before solprop took its gases from optmat. The mapping is the one ``tests/test_solprop_parity.py`` checks (TC-100); + solprop read Ermolov's helium coefficients at 1 atm, so that model is re-referred. Returns ------- @@ -395,7 +395,7 @@ def solprop_defaults() -> dict[str, Model]: "Xe": formulas["borzsonyi_2008/sellmeier_Xe"], "N2": formulas["borzsonyi_2008/sellmeier_N2"], "H2": formulas["peck_1977/eq7"], - # solprop applies the hydrogen formula to deuterium (Orr 1936). + # solprop applied the hydrogen formula to deuterium (Orr 1936). "D2": formulas["peck_1977/eq7"], "O2": formulas["kren_2011/kren_O2"], "CH4": formulas["he_2021/CH4"], @@ -405,11 +405,11 @@ def solprop_defaults() -> dict[str, Model]: def solprop_gamma() -> dict[str, float]: - """Return solprop's current third-order coefficient of each gas as gamma_T (au). + """Return solprop's former third-order coefficient of each gas as gamma_T (au). - solprop uses one frozen ``gamma3 = gamma_T / (6 eps0)`` per gas for every process - and wavelength; the values are the fixture ``tests/data/solprop_gamma3.json`` - (``tools/solprop_gamma3.py``, run in solprop's environment). + Before it took them from optmat, solprop used one ``gamma3 = gamma_T / (6 eps0)`` per + gas for every process and wavelength; the values are the frozen fixture + ``tests/data/solprop_gamma3.json``. Returns ------- diff --git a/docs/introduction/overview.md b/docs/introduction/overview.md index ea742fe..dd9ea6b 100644 --- a/docs/introduction/overview.md +++ b/docs/introduction/overview.md @@ -143,7 +143,12 @@ against measured gains ({doc}`/raman`). (copper to 56 µm), aluminium from 0.8 nm to 200 µm, as curated tables joined by range. -Where the package goes next is on the {doc}`/roadmap`: +optmat is the materials library behind the pulse-propagation code +[solprop](https://github.com/LupoLab/solprop); {doc}`/propagation` gathers what such a +code calls. + +Where the package goes next is in the [issues](https://github.com/LupoLab/optmat/issues), with the enhancement proposals +on the {doc}`/roadmap`: - the models of the other solids, and their two-photon absorption, ionisation and damage; - the molecules in the extreme ultraviolet; diff --git a/docs/nonlinear_accuracy.md b/docs/nonlinear_accuracy.md index 73350f6..c69ebe4 100644 --- a/docs/nonlinear_accuracy.md +++ b/docs/nonlinear_accuracy.md @@ -312,7 +312,7 @@ The fits have not been reviewed outside this project. ## What would improve it -The papers listed on the {doc}`roadmap`, most useful first: +The papers listed under {doc}`wanted`, most useful first: - an absolute dc Kerr of helium (Tammer et al. 1992) and the older absolute dc Kerr of the molecules; - Shelton's 1987 vibrational gamma of N2 and O2; diff --git a/docs/oeps/index.md b/docs/oeps/index.md index 2c6e21a..e828b0a 100644 --- a/docs/oeps/index.md +++ b/docs/oeps/index.md @@ -17,10 +17,9 @@ are archived and linked from the manual pages they produced. OEPs start from [the template](template.md). Every OEP is reviewed by at least one human and one frontier AI model before it is accepted. -The {doc}`roadmap <../roadmap>` lists, in order: -1. accepted and in-progress OEPs; -2. drafts under discussion; -3. informal work not fully covered by a proposal. +The {doc}`roadmap <../roadmap>` lists accepted and in-progress OEPs, then drafts under +discussion. Each has a tracking issue, and other planned work is in the +[issues](https://github.com/LupoLab/optmat/issues). ## Open diff --git a/docs/oeps/oep-0007-strong-field-dissociation.md b/docs/oeps/oep-0007-strong-field-dissociation.md index c04a346..66a78f2 100644 --- a/docs/oeps/oep-0007-strong-field-dissociation.md +++ b/docs/oeps/oep-0007-strong-field-dissociation.md @@ -659,3 +659,4 @@ None yet. - 2026-10-09: Drafted, after the curation of TC-954 to TC-981. - 2026-10-09: Q1 and Q2 resolved by the maintainer, as recommended (TC-982). +- 2026-11-04: Tracking issue opened, [#35](https://github.com/LupoLab/optmat/issues/35). diff --git a/docs/oeps/oep-0008-bound-two-photon-response.md b/docs/oeps/oep-0008-bound-two-photon-response.md index 769ed29..e1b1c3e 100644 --- a/docs/oeps/oep-0008-bound-two-photon-response.md +++ b/docs/oeps/oep-0008-bound-two-photon-response.md @@ -244,8 +244,8 @@ Its own fallback is to report the evaluator as deferred to a later proposal. Thi that proposal. It answers Q9 for the bound levels. It takes up Q7 and Q8 where they concern the bound levels. OEP 6 is Final with Phases 1 and 2a implemented (TC-1053). -**The roadmap item answered:** OEP 6's Phase 2 evaluator, and the "bound resonances" -deferred by the paired solprop proposal. +**The work answered:** OEP 6's Phase 2 evaluator, and the "bound resonances" +deferred by the paired solprop proposal, [SEP 17](https://solprop.readthedocs.io/en/latest/dev/seps/sep-0017-gas-two-photon-ionisation.html). ### 4. Theory @@ -792,7 +792,7 @@ additional cross-check failure stated; the dispersive response is unvalidated. T one-electron model's ¹D/¹S ratio, 0.45, favours the per-level reading (0.70) over one component (0.14), weakly. Its absolute strengths are 2–3 times the correlated calculations', so argon stays unresolved; - - the measurements on the roadmap's papers-wanted list. + - the measurements on the {doc}`papers-wanted page <../wanted>`. - **Argon, qualified on calculated strengths** (Q7, resolved). The convention is settled by xenon (TC-952), and the correlated calculations agree well. - **The reference** is henriksson_2005's J-resolved TDDHF strength per level: J = 2 at @@ -1113,7 +1113,8 @@ in propagation*. It covers: General frequency-dependent/two-colour dynamics (Q8), strong-field multilevel qualification (Q9), and the continuum's time dependence (Q6) are not silently added to -these phases. They remain on the roadmap. Approval of Q8–Q10 resolves the initial +these phases. They remain open in the issues ([#10](https://github.com/LupoLab/optmat/issues/10), [#11](https://github.com/LupoLab/optmat/issues/11)). +Approval of Q8–Q10 resolves the initial scope and data choices, not those scientific extensions or acceptance of the whole OEP. ### 13. Open questions @@ -1305,3 +1306,4 @@ None yet. candidate. No new phase, OEP or SEP is created; status remains Draft; Reviewed. - 2026-10-12: Argon's radiative widths, quenching and photoionisation at the drive curated (TC-1068). - 2026-10-12: Argon's quenching reconciled and its photoionisation scale questioned (TC-1074). +- 2026-11-04: Tracking issue opened, [#36](https://github.com/LupoLab/optmat/issues/36). The roadmap's references became links to the issues, the papers-wanted page and SEP 17. diff --git a/docs/propagation.md b/docs/propagation.md index 392b89a..ff76ccd 100644 --- a/docs/propagation.md +++ b/docs/propagation.md @@ -245,5 +245,30 @@ chi = mixture_optics(["He", "Ne"]).susceptibility(800e-9, densities) assert he_ne.status == "validated" and float(chi.real) > 0 ``` +## solprop + +The pulse-propagation code [solprop](https://github.com/LupoLab/solprop) is the worked +example of this interface: it takes its gases, gas mixtures, glasses and metals from +optmat. Its manual shows the other side, in [Materials](https://solprop.readthedocs.io/en/latest/guide/media/materials.html), +[Material selection](https://solprop.readthedocs.io/en/latest/guide/media/material-selection.html) and +[Raman data](https://solprop.readthedocs.io/en/latest/guide/media/raman-data.html). + +The boundary between the two is recorded in its enhancement proposals: + +- [SEP 3](https://solprop.readthedocs.io/en/latest/dev/seps/archive/sep-0003-optmat-materials.html) moved its materials, Raman + responses and ionisation rates to optmat, on the preparation of OEP 1; +- [SEP 6](https://solprop.readthedocs.io/en/latest/dev/seps/archive/sep-0006-dispersive-nonlinearity.html), its frequency-dependent + third-order response, reads where the fits are supported from + `HyperpolarizabilityModel.support` ({doc}`OEP 5 `); +- [SEP 11](https://solprop.readthedocs.io/en/latest/dev/seps/sep-0011-finite-density-gas-index.html), a draft, is the propagation side + of the finite-density mixture law ({doc}`OEP 4 `); +- [SEP 17](https://solprop.readthedocs.io/en/latest/dev/seps/sep-0017-gas-two-photon-ionisation.html), its two-photon continuum + response, uses the coefficients of {doc}`OEP 6 `. + +optmat supplies material properties and basic data; solprop owns the resulting +polarisation, electron accounting, plasma coupling and propagation energy balance +(TC-1057). What each is waiting for from the other is in the issues carrying the +[`solprop` label](https://github.com/LupoLab/optmat/issues?q=is%3Aissue+label%3Asolprop). optmat never depends on solprop. + This page documents what [OEP 1](oeps/archive/oep-0001-propagation-interface.md) proposed and implemented: its theory, decisions and phase reports are the record. diff --git a/docs/roadmap.md b/docs/roadmap.md index 69a403d..b94b483 100644 --- a/docs/roadmap.md +++ b/docs/roadmap.md @@ -1,5 +1,17 @@ # Roadmap +```{note} +Planned work is tracked in [GitHub issues](https://github.com/LupoLab/optmat/issues), which can be filtered by type, priority and +area. It is not listed here. This page holds only the status lists of accepted and draft +OEPs below. + +The entries this page used to hold moved to issues on 2026-11-04, and the papers and data +we are looking for moved to {doc}`their own page `. Where an older page, a source +record or an archived OEP says that something is "on the roadmap", look in those. The +[page as it stood before the move](https://github.com/LupoLab/optmat/blob/24672b1fcc5e7209406b4a37cd50437befa50445/docs/roadmap.md) +shows what it said. +``` + optmat began with the gases used in gas-filled fibres and cells, and with the properties a simulation of nonlinear propagation in them needs first: the refractive index across the spectrum and the Kerr response. The aim is the same for every property and every @@ -9,8 +21,7 @@ published alternatives available for comparison. A major item starts as an {doc}`enhancement proposal ` (OEP). That means a new medium, a new family of properties or models, a changed default or convention, or a -redesigned interface. Accepted proposals are listed first, then drafts, then the informal -items. +redesigned interface. Accepted proposals are listed first, then drafts. ## Accepted enhancement proposals @@ -36,7 +47,7 @@ The {doc}`OEP index ` lists every proposal and its current status. The molecules are O2, N2, N2O, NO2, O3 and N2O5. It also gives a labelled recombination-limited bound on the atoms. The plasma kinetics after the pulse stays outside optmat. The data are curated (TC-954 to TC-981); what is missing is listed in - its section 5. + its section 5. Tracked in [#35](https://github.com/LupoLab/optmat/issues/35). - [OEP 8 — The bound two-photon resonances of the noble gases for propagation](oeps/oep-0008-bound-two-photon-response.md) (Draft; Reviewed). Q8–Q10 are resolved by the maintainer (TC-1055). Phase 1 supplies He, Xe and Ar @@ -51,7 +62,7 @@ The {doc}`OEP index ` lists every proposal and its current status. The initial application is the disappearance of an Ar VUV RDW near the two-photon ionisation threshold under a self-compressing 6 fs, 800 nm pump, with He as a second - target (TC-1056). Start the solprop investigation with OEP 6's continuum coefficients: + target (TC-1056). Start the solprop investigation ([#10](https://github.com/LupoLab/optmat/issues/10)) with OEP 6's continuum coefficients: compare pump-ionisation baselines and evaluate perturbative VUV pair-spectral loss on the generated fields. OEP 8's lowest bound lines are at different wavelengths. This diagnostic need not wait for OEP 8, and it does not provide the continuum's @@ -59,384 +70,4 @@ The {doc}`OEP index ` lists every proposal and its current status. optmat supplies material properties and basic data; solprop owns the resulting polarisation, electron accounting, plasma coupling and propagation energy balance (TC-1057). The internal atomic fixtures test material coefficients and conventions. - -The informal items below record work not fully covered by these proposals. When a -proposal is added or revised, an informal item is removed only if the proposal covers it -in full. Otherwise the item links the proposal, states what it covers and keeps the -remaining work explicit. Moving work into a proposal does not mean it is implemented. - -## Gases: what comes next - -- **VUV RDW suppression in argon and helium** (TC-1056). A solprop investigation, - using OEP 6's existing continuum coefficients and the bound coefficients as OEP 8 - provides them. Use the evolving complex VUV field, spatial overlap and neutral - density, not the input pump duration. Resolve the impact of near-threshold gaps and - unresolved structure; do not replace them by zero. Compare pump ionisation, - VUV two-photon ionisation, and both, including absorption and plasma feedback. - A causal continuum loss/ionisation rule belongs in a solprop SEP (OEP 8 Q6; - TC-1057), with a coupled optmat OEP only for additional material quantities, models - or interfaces it requires. An effective continuum matched to OEP 6's cross sections - is a candidate for the SEP, not an approved response; integrated yield agreement - alone does not validate its transient polarisation or electron accounting. - Distinguish pump-driven detuning from the ultimate observable cut-off, and the - spectral centroid from the blue edge and detection limit. The pressure scan alone - does not distinguish the hypotheses. Fix the dataset's actual input duration before - specifying simulation fixtures. -- **Beyond OEP 8's approved first scope** (Q8–Q9; TC-1055). Derive and qualify a - general frequency-dependent/two-colour response in solprop, with a coupled optmat - proposal for any additional material inputs (TC-1057), and establish when - excited-state Raman couplings, shared-continuum - loss and correlated dephasing matter for strong multilevel excitation. Include - pump-induced dressing where the RDW overlaps the intense pump. These are deferred - scientific tasks, not consequences of approving Q8–Q10. Higher bound series near - threshold still need strengths; the existing low levels do not bound their loss. - -- **Raman and ionisation parameters for propagation (TC-439).** The aim is that - solprop holds no material parameters of its own. optmat takes over the conversion from - the literature, and solprop keeps only the response kernels and the molecules' rate - formulas. - - **Done:** the Raman lines of seven gases and N2O's bands ({doc}`raman`), the - response functions of the gases, dry air and fused silica ({doc}`raman_response`, - TC-685 to TC-696), the ionisation parameters ({doc}`ionisation`), and the rates of - the noble gases and the molecules ({doc}`ionisation_rates`, TC-652; - {doc}`molecular_ionisation_rates`, TC-673 to TC-684). - - **Next:** - - the ionisation rates: the disagreement of the two measured yields (TC-660), for - which a one-electron calculation of the 42 fs pulse is wanted; hydrogen, 400 nm - and 1030 nm; all-electron static rates of Kr and Xe, and of Ne and Ar below - 1.7e14 W/cm², where the tabulated ones are in doubt (TC-669); for the - molecules, a calculation at a finite frequency, all-electron static rates of - O2, CO2, N2O and CH4, and SF6's coefficients (TC-680, TC-681); - - N2O's rotational lines, once its rotational constants are curated; - - modern H2 and D2 level energies (Komasa et al.) in place of Stoicheff's; - - the 11-39 % excess of the model's H2 and D2 gains over the measured ones - (TC-542); - - the Q-branch widths of CO2 and N2O, and N2O's depolarisation ratios (stopgaps - now); - - **Q-branch line mixing** (TC-527, TC-688). Above about 2 amagat for N2 (and dry - air), 4 for O2 and 13 for CO2, the Q(J) lines overlap. Collisions then transfer - coherence between them, and the branch narrows towards a single line. Today the - response warns there and treats the lines as independent, which overstates the - branch's dephasing. The plan: - - a relaxation matrix W for each band, whose diagonal is today's per-J widths - (so nothing changes at low density), with off-diagonal rates from a fitting - law such as the modified exponential gap (Koszykowski et al. 1987, curated as - `ExponentialGapLaw`) or the energy-corrected sudden law, with detailed - balance imposed; - - the response from the eigen-decomposition of Omega + iW. This is still a sum of - damped oscillators, now with complex amplitudes, so the response's form and - the propagation code's use of it are unchanged. Its eigenvalues depend on the - density, which the low-rank tabulation already absorbs; - - validation against the collapsed branch: Mikhailov's widths of N2's Q branch at - 15-114 atm (curated), Rosasco et al.'s first-order mixing coefficients at 0.2-2 - atm (curated, but they fail the detailed-balance sum rule, TC-527), and Millot - et al.'s O2 spectra; - - the same for the rotational S lines of CO2, which overlap near 13 amagat; - - the structure coefficients of CH4, SF6 and N2O; - - the polarizabilities of the remaining cations; - - reference rates for the gases without them: the papers requested below, and TDSE - calculations where the literature leaves a gap (TC-444). -- **The molecules in the extreme ultraviolet.** Brion & Thomson's compilation of - absolute photoabsorption (H2, N2, O2, CO, CO2, N2O, CH4 and SF6, 5-80 eV, 5 %) and - Olney et al.'s dipole sums are curated. A complex index of the molecules above their - ionisation thresholds, built as the noble gases' is, comes next. -- **The infrared beyond OEP 3.** What OEP 3 leaves out: - - **SF6's infrared treatment.** Its input is a measured, broadened cross-section, so - it needs a Kramers-Kronig reference with its resolution, baseline and truncation - errors. Its cross-sections also show weak absorption at 1.5-5 µm, inside its - declared range (OEP 3, §13 Q14). - - **A complex index for the weak bands** (OEP 3, Option F). Damped oscillators or - smoothed band shapes would qualify pure CO2 at its laser lines, and the weak-band - regions of N2O and CH4. - - **Air across its trace gases' bands** (OEP 3, Q13; TC-809). The full CIPM-2007 air - widens only to 1499-1516 and 1548-1562 nm beyond its constituents' intersection: - the trace CH4, N2O and CO2's band-rule poles fill their gaps. A representation of - the traces with their bands folded, and N2O's ultraviolet absorption below - 320 nm, would widen it further. -- **Completing the curated records.** Values that were recorded in a record's notes - before the format could hold them become datasets (TC-316): magnetic - susceptibilities, higher refractivity virials, molar Kerr constants and Kerr virials, - vibrational corrections to the polarizability, band-integrated cross sections. -- **High pressure.** The density dependence of the third-order response (the pair - coefficients of χ⁽³⁾), and the higher refractivity virials, for fibres filled to - tens of bar. The second refractivity virial of the gases that have none (O2, D2, N2O, - CO, O3); OEP 4 records their omission in mixtures. - -## solprop - -optmat supplies the material properties used by solprop. The integration interface -and remaining responsibilities on the propagation side are: -- the recommended model of each gas; -- Lorentz–Lorenz density scaling; -- the process-aware Kerr and third-harmonic coefficients, through the model's exact - time-domain form (see {doc}`nonlinear`). For solprop's SEP 6, which evaluates every - four-wave quartet leg by leg, the manual now gives where the fits are supported: the - legs of the data, each gas's resonance limits and the evidence on bounds for the legs - beyond (TC-864 to TC-868); how to use them is solprop's decision. A public, tested - record of it on the model, `HyperpolarizabilityModel.support`, so that solprop does - not copy the numbers, is implemented by - [OEP 5](oeps/archive/oep-0005-hyperpolarizability-support.md) (TC-870); the polyatomic - gases' missing resonances stay with the papers we are looking for (below). -- the Raman responses of the gases, dry air and fused silica ({doc}`raman_response`), - and the ionisation rates and parameters, through solprop's SEP 3. The snapshots - `tests/data/solprop_raman.json`, `tests/data/solprop_raman_response.json` and - `tests/data/solprop_ionisation.json` record historical solprop snapshots for the parity - targets (TC-439, TC-690). The page's section *Using it in a propagation code* gives - the cost of per-line widths along a density gradient and the low-rank tabulation that - removes it. -- solprop's solids, so that it keeps no solid data either: - - its window crystals and glass (CaF2, MgF2, BaF2, sapphire, N-BK7); - - its silver and aluminium; - - fused silica, with its Raman response and its n2 paired (TC-692, TC-696). - - The primary papers are now curated (TC-543 to TC-625): the crystals have their - primary formulas made absolute ({doc}`crystals`), and silver, gold, copper and - aluminium are table models ({doc}`metals`). Further sources for the metals (TC-626 to - TC-648) took the tables to the soft x-ray range and aluminium to 0.8 nm-200 µm, and - SCHOTT's data sheet and Weber's handbook brought N-BK7 and sapphire's extraordinary - ray (TC-649 to TC-651). Each solid covered by those snapshots has a recommended model. - -- the preparation on optmat's side is - [OEP 1](oeps/archive/oep-0001-propagation-interface.md). That covers: - - the declared surface, identities and flags; - - overrides; - - the polarizability derivative; - - the EOS inverse and transport; - - compositions and the air model; - - the Raman groups; - - the rate energy; - - the silica bundle; - - the fixtures, the first release and the integration page. - - The adapters themselves are solprop's. -- the finite-density mixture law of the gas index, for solprop's SEP 11, is - [OEP 4](oeps/archive/oep-0004-mixture-index.md), with the mixture's density. - -optmat will never depend on solprop. - -## Solids: glasses and crystals - -Glasses and crystals share one subpackage, `optmat.solid` (TC-318). **Fused silica is -the first** (see {doc}`silica`): -- its complex index from 25 nm to 125 µm (Franta et al.'s model refitted to the - absolute refractometry); -- its n2 with the Raman part, the Raman fraction set by the measured Raman gain - (TC-696); -- its Raman response: Hollenbeck & Cantrell's (the default), Lin & Agrawal's with its - isotropic and anisotropic parts, and Blow & Wood's ({doc}`raman_response`). - -The curated records already hold the data for what comes next (TC-325 to TC-392, -TC-543 to TC-651), for silica and the other 162 solids they cover: - -- **Two-photon absorption:** beta at 193-800 nm of silica grades, the fluorides, - sapphire, quartz and BBO, and a model of its dispersion with the band gap. -- **Ionisation and damage:** - - multiphoton and field (Keldysh) ionisation rates and their inputs; - - avalanche coefficients; - - the laser-damage thresholds against pulse length. -- **Temperature:** a temperature-dependent recommended model of silica. Leviton & Frey's - absolute indices and dn/dT (Corning 7980, 30-300 K) are curated, with their formula as - a model (`leviton_2008/sellmeier`), and so are Matsuoka et al.'s (108-356 K) and - Waxler & Cleek's (73-293 K) indices; Daimon & Masumura's dn/dT of CaF2. -- **More materials:** CaF2, MgF2, BaF2, sapphire and N-BK7 now have their formulas - ({doc}`crystals`), silver, gold, copper and aluminium their tables ({doc}`metals`), - and crystalline silicon its refitted universal dispersion model at 20 degrees C - ({doc}`silicon`). LiF, YAG and KGW next: - - their indices from primary measurements; - - Franta's models where they exist (MgF2, Al2O3 films); - - the n2 already curated (Adair, DeSalvo, Ensley, Patwardhan, Kabacinski and others). -- **Silicon, further:** - - a temperature-dependent complex index: Franta et al.'s 2017 model needs its - unprinted parameters from the authors (TC-1088); Frey et al.'s formula covers the - window from 20 to 300 K; - - the band-to-band absorption beyond 1.15 µm, which the model's tail cannot follow, - and doped silicon's free carriers; - - Herzinger et al.'s Si table (an AIP PAPS deposit) and Dash & Newman (1955), not - yet in the library (TC-1083, TC-1085). -- **Catalogues:** vendor catalogues as comparison sources, and the spread between melts - and vendors as part of the stated uncertainty. -- **Open questions (TC-393, TC-399):** - - the grade dependence near the 2.73 µm OH band, where the recommended model departs - from Malitson's glasses by up to 5e-5; - - the electrostrictive part of nanosecond n2 data; - - silica's Raman gain below 25 cm⁻¹, where Hollenbeck & Cantrell's shape is 1.6-2.4 - times Stolen et al.'s low-frequency law (TC-695). - -## Crystals - -For second-order nonlinear optics: -- the principal refractive indices of uniaxial and biaxial crystals, and their - temperature dependence; -- the second-order susceptibility tensor ($d_{ij}$), and its dispersion through - Miller's rule; -- the third-order response; -- the conventions for axes and tensor components that such data need, made explicit in - the vocabulary. - -## Infrastructure - -- **Releases:** on PyPI, and documentation hosted online. The first tagged version, and - the test that a clean install ships its data, were part of - [OEP 1](oeps/archive/oep-0001-propagation-interface.md). Publishing and hosting remain - open. -- **Read-only registries** (OEP 1, Q31): the registry functions return plain dicts of - read-only models. Returning read-only mappings would change their return types. -- **Numerical regression across platforms** (OEP 1, Q32): gas Raman golden checks - now compare canonical identity records with an arithmetic tolerance; public digests - remain exact. Nonlinear refit checks compare predictions, the full objective and - uncertainty-scaled parameter displacements. See {doc}`developers/testing`. - Verification on other numerical platforms, including the exact digest checks for - other model families (libm, CoolProp), remains part of setting up CI. -- **Continuous integration:** CI running the full gate on every pull request. - -## Papers and data we are looking for - -The papers below would improve the weakest parts of the models. Each is cited by a paper -already curated. If you have access to one, or know of better data, please open an -issue. Many of the papers requested earlier are now curated (TC-543 to TC-625); what -they left open is below. - -**Gases:** - -- **Vacuum-ultraviolet refractometry of the noble gases** between their first - resonance and 140 nm: - - G. I. Chashchina, V. I. Gladushchak and E. Ya. Shreider, Opt. Spectrosc. 24, 542 - (1968), argon; - - G. I. Chashchina and E. Ya. Shreider, Opt. Spectrosc. 27, 79 (1969), krypton and - xenon; - - R. Abjean, A. Mehu and A. Johannin-Gilles, C. R. Acad. Sci. B 271 (1970). -- **The electronic absorption onsets and two-photon states of the polyatomic gases** - (TC-865): CO2's weak absorption below its first band near 147.5 nm, SF6's onset (only - absorption evidence is curated: none detected at Ityaksov et al.'s sampled wavelengths - down to 197.7 nm, TC-869), and the lowest two-photon states of CO2, CH4, SF6, N2O and - O3. Without them these gases' support records give no E2 and no derived band edge - (TC-870). -- **An accuracy margin below each resonance** (OEP 5, Q8): how far below $E_1$ or - $E_2$ the fitted polynomial stays within its stated accuracy. It would be published as - information on the support record, never as a rule, if optmat had evidence for one; - it has none today. -- **Two-photon ionisation and absorption of the noble gases** (the curation of - TC-872 to TC-942; {doc}`two_photon`). The papers requested in the first round are - curated; what they left open is: - - **krypton's two-photon ionisation cross section in a vector-drawn or tabulated - form** ([OEP 6](oeps/archive/oep-0006-two-photon-ionisation.md), Q2): every curve so far is a scan (L'Huillier, Tang and - Lambropoulos 1989; Fink and Johnson 1990; McGuire 1981). Leads they cite include: - - A. L'Huillier, L. Jönsson and G. Wendin, Phys. Rev. A 33, 3938 (1986); - - B. Ritchie, Phys. Rev. A 16, 2080 (1977); - - K. C. Kulander, Phys. Rev. A 36, 2726 (1987); - - **xenon between its two thresholds** (Q3): only a scanned MQDT curve - (Gangopadhyay et al. 1986); - - **any measured two-photon ionisation cross section of argon or neon;** - - **measured bound two-photon strengths of He, Ne and Ar, and the higher members of - every series** (OEP 8); - - **material inputs for the continuum's time-resolved two-photon loss** (TC-903; - OEP 8, Q6; TC-1057): identify them with a solprop SEP for the propagation response; - use a coupled optmat OEP for new material quantities, models or interfaces. - Tier-3 TDSE runs support the pair-frequency rule for the helium and argon continua - (TC-1049), but no published small-split amplitude is curated. Explicit approximate - responses are possible candidates; their transient behaviour is not thereby - qualified; - - **Dakka et al.'s photoionisation rate factor** (OEP 6, Q7; TC-892). -- **Converged ab initio dispersion, and the magnetic susceptibilities, of krypton and - xenon.** These would give Kr and Xe the theory backbone that He, Ne and Ar have. -- **Ultraviolet refractometry of SF6** below 458 nm, where its fit has no refractive - data but Shelton's harmonics: Wilmouth & Sayres's scattering at 264-363 nm lies about - 2 % above the model, and Ityaksov et al.'s at 198-270 nm about 5 % (TC-712, TC-150). -- **Neon's refractivity virial** (TC-744): Achtermann et al.'s 1993 optical B_R of neon - and Huot and Bose's B_ε, both as cited by Garberoglio and Harvey (2020). The package - uses Orcutt and Cole's static value, about three times theirs and the ab initio one. - Both papers are curated (TC-771) and confirm the comparison. The choice of B_R is the - author's (OEP 4, Q18). -- **The mixtures' cross second virials and densities near ambient**, for OEP 4's Phase - 2. The citations are as printed by Tkaczuk et al. (2020) and Gernert (2013): - - J. Brewer and G. W. Vaughn, J. Chem. Phys. 50, 2960 (1969); - - M. L. Martin et al., Aust. J. Chem. 35, 1525 (1982); - - W. F. Vogl and K. R. Hall, Physica 59, 529 (1972); - - N. K. Kalfoglou and J. G. Miller, J. Phys. Chem. 71, 1256 (1967); - - Vatter et al., Ber. Bunsenges. Phys. Chem. 100, 73 (1996); - - Blancett et al.'s (1970) He–Ar and Kestin et al.'s (1981) He–Ne and Ne–Ar mixture - densities. - - All are curated (TC-780 to TC-784). Still wanted: a complete copy of Blancett et al. - (the library's scan clips pp. 82-88), and density data of the Ne–Ar mixtures and of - air's pairs (N2–O2, Ar–N2, Ar–O2) near ambient, whose absence leaves those defaults - provisional (TC-779). -- **Infrared refractivity of the molecular gases**, OEP 3's validators (TC-756). The - five candidates of OEP 3's literature search are curated (TC-802 to TC-806): - Rollefson and Havens's CH4 (1.7-15 um), Matsumoto's CO2 at 10.6 um and Tsankova et - al.'s static CO are validators of the fits; Legay (1955) measured HCl alone; - Mitrofanov et al.'s group delay of air at 3.7-4.15 um is recorded without a dataset, - for want of a quantity for a group delay whose zero is not stated and of air as a - registered material. Still wanted: Statescu, Phil. Mag. 30, 737 (1915), CO2's - infrared index by the prism method. No measurement of CO or N2O between 2 and 12 um - was found. -- **Hohm's measured polarizabilities against temperature:** U. Hohm, Dissertation, TU - Braunschweig (1989), the α(ω, T) of Ar, H2, O2 and CH4 that Hohm & Kerl fit but do - not tabulate; and which of Hohm's two 1994 xenon measurements, 0.31 % apart, is - right (TC-606). -- **The molecules' polarizability away from their reference temperature:** an opt-in - correction, linear in T - T_ref where a coefficient is measured (N2, O2, CO2; TC-730), - with its wavelength dependence checked, and a model for H2's rotational average far - from room temperature. OEP 1 exposes the reference temperature and the coefficients - only (its §7.13). -- **Molecular photoabsorption:** the JILA Data Center Report No. 32 tabulations. - Olney et al.'s S(−2) of N2O is 4.7 % above the one recomputed from Chan et al.'s - published spectrum (TC-606). -- **Third-order response:** - - the calibration of the Maryland group's absolute n2: the supplemental material of - J. K. Wahlstrand, Y.-H. Cheng and H. M. Milchberg, Phys. Rev. Lett. 109, 113904 - (2012); - - any measured hyperpolarizability of N2O. -- **Ionisation:** - - static polarizabilities of Kr+, Xe+ and the molecular cations; - - tunnelling structure coefficients (MO-ADK or weak-field asymptotic) for CH4, SF6 - and N2O: L. B. Madsen et al., Phys. Rev. A 85, 053404 (2012) and 87, 013406 (2013); - - D. W. Turner, A. D. Baker, C. Baker and C. R. Brundle, Molecular Photoelectron - Spectroscopy (Wiley, 1970): the original of the N2O and CO2 vertical energies; - - a modern threshold of SF6 (Frost et al.'s 1967 value is of unstated kind); - - the source of solprop's PPT Stark shift and dipole correction, which are not in - Ilkov et al. 1992 (perhaps L. Bergé et al., Rep. Prog. Phys. 70, 1633 (2007)); - - the PPT originals: A. M. Perelomov, V. S. Popov and M. V. Terent'ev, Sov. Phys. - JETP 23, 924 (1966); A. M. Perelomov and V. S. Popov, Sov. Phys. JETP 25, 336 - (1967), which would settle the factor of 2 in Ilkov et al.'s Eq. (8); - - R. H. Garvey, C. H. Jackman and A. E. S. Green, Phys. Rev. A 12, 1144 (1975): the - model potentials behind Batishchev et al.'s and Trinh et al.'s rates. -- **Raman:** - - **for Q-branch line mixing:** relaxation-matrix (exponential-gap or - energy-corrected sudden) parameters of N2, O2 and CO2 fitted to Q-branch spectra up - to tens of atmospheres, and tabulated Q-branch widths or time-domain dephasing - measured above 10 atm, where the branch has collapsed; - - the vibrational O and S branches (their anisotropic elements beyond H2's and D2's), - and the line shapes below the Dicke cutoff (TC-686, TC-688); - - the rotational constants of N2O (a primary source; the Weber volume has none); - - the Q-branch widths of CO2 and N2O, and N2O's depolarisation ratios; - - Komasa et al.'s 2011 Supporting Information (the per-level uncertainties), and a - vocabulary quantity for rovibrational level energies to hold their tables; - - whether Murray & Javan's (1972) D2 widths are half or full widths (TC-586). -- **Ozone:** an independent zero-point vibrational correction to its polarizability, and - the supplementary material of Christodouleas et al. (2010). The higher dispersion - orders of its measured-absorption term (the GVD and beyond), which are repeated - gradients of the grid rather than derivatives of the evaluated spline (TC-732). - -**Solids** (the fused-silica models and the data curated for the next ones; TC-399, -TC-393, TC-325 onwards): - -- **solprop's solids** (TC-546, TC-619, TC-648): - - **silver and gold beyond 12.4 µm:** measured far-infrared data, such as M. A. - Ordal et al., Appl. Opt. 26, 744 (1987) (gold); only Drude curves are curated; - - **the vacuum ultraviolet of silver and gold** (40-200 nm), where the curated sources - spread by 20-50 % in k (TC-646): a modern measurement of both n and k; - - **MgF2's temperature dependence:** A. Feldman et al., NBS Tech. Note 993 (1979); -- **Silica's linear index:** - - Popova et al. (1972), the IR data behind Kitamura's model; - - the numbers behind Tan, Lemon & French's 2003 VUV constants (figures only); - - J. H. Wray and J. T. Neu, J. Opt. Soc. Am. 59, 774 (1969): silica to 1100 K. -- **Franta's model:** the supplement of the 2025 Ta2O5 paper. -- **Raman gain:** a second absolute measurement of fused silica's Raman gain, bulk or - in a pure-silica-core fibre (TC-696 rests on Stolen & Ippen's one), and its polarised - and depolarised spectra, to test Lin & Agrawal's isotropic and anisotropic parts. -- **n2:** D. Milam, M. J. Weber and A. J. Glass, Appl. Phys. Lett. 31, 822 (1977), the - fluoride crystals' n2; the other originals behind Weber, Milam & Smith's 1978 tables. -- **Damage and ionisation:** B. C. Stuart et al., J. Opt. Soc. Am. B 13, 459 (1996); - L. Sudrie et al., Phys. Rev. Lett. 89, 186601 (2002); Keldysh, Sov. Phys. JETP 20, - 1307 (1965). + Tracked in [#36](https://github.com/LupoLab/optmat/issues/36). diff --git a/docs/user-guide/two-photon-excitation.md b/docs/user-guide/two-photon-excitation.md index d13d153..7e07fc7 100644 --- a/docs/user-guide/two-photon-excitation.md +++ b/docs/user-guide/two-photon-excitation.md @@ -82,8 +82,7 @@ their inputs. - the photoionisation of most excited levels; - the higher members of every series, which have positions but no strengths. -These are listed among the papers the curation requests (*Papers and data we are -looking for*, on the roadmap). +These are listed among the papers the curation requests ({doc}`/wanted`). See {doc}`/oeps/archive/oep-0006-two-photon-ionisation` for the completed proposal and its phase reports. diff --git a/docs/wanted.md b/docs/wanted.md new file mode 100644 index 0000000..9e7026d --- /dev/null +++ b/docs/wanted.md @@ -0,0 +1,154 @@ +# Papers and data we are looking for + +The papers below would improve the weakest parts of the models. Each is cited by a paper +already curated. If you have access to one, or know of better data, please use the +[source form](https://github.com/LupoLab/optmat/issues/new?template=offer_a_source.yml). +Cite the paper there rather than attaching it. Many of the papers requested earlier are +now curated (TC-543 to TC-625); what they left open is below. An item leaves this page when +it is curated, with its register entry +([#31](https://github.com/LupoLab/optmat/issues/31)). + +**Gases:** + +- **Vacuum-ultraviolet refractometry of the noble gases** between their first + resonance and 140 nm: + - G. I. Chashchina, V. I. Gladushchak and E. Ya. Shreider, Opt. Spectrosc. 24, 542 + (1968), argon; + - G. I. Chashchina and E. Ya. Shreider, Opt. Spectrosc. 27, 79 (1969), krypton and + xenon; + - R. Abjean, A. Mehu and A. Johannin-Gilles, C. R. Acad. Sci. B 271 (1970). +- **The electronic absorption onsets and two-photon states of the polyatomic gases** + (TC-865): CO2's weak absorption below its first band near 147.5 nm, SF6's onset (only + absorption evidence is curated: none detected at Ityaksov et al.'s sampled wavelengths + down to 197.7 nm, TC-869), and the lowest two-photon states of CO2, CH4, SF6, N2O and + O3. Without them these gases' support records give no E2 and no derived band edge + (TC-870). +- **An accuracy margin below each resonance** (OEP 5, Q8): how far below $E_1$ or + $E_2$ the fitted polynomial stays within its stated accuracy. It would be published as + information on the support record, never as a rule, if optmat had evidence for one; + it has none today. +- **Two-photon ionisation and absorption of the noble gases** (the curation of + TC-872 to TC-942; {doc}`two_photon`). The papers requested in the first round are + curated; what they left open is: + - **krypton's two-photon ionisation cross section in a vector-drawn or tabulated + form** ([OEP 6](oeps/archive/oep-0006-two-photon-ionisation.md), Q2): every curve so far is a scan (L'Huillier, Tang and + Lambropoulos 1989; Fink and Johnson 1990; McGuire 1981). Leads they cite include: + - A. L'Huillier, L. Jönsson and G. Wendin, Phys. Rev. A 33, 3938 (1986); + - B. Ritchie, Phys. Rev. A 16, 2080 (1977); + - K. C. Kulander, Phys. Rev. A 36, 2726 (1987); + - **xenon between its two thresholds** (Q3): only a scanned MQDT curve + (Gangopadhyay et al. 1986); + - **any measured two-photon ionisation cross section of argon or neon;** + - **measured bound two-photon strengths of He, Ne and Ar, and the higher members of + every series** (OEP 8); + - **material inputs for the continuum's time-resolved two-photon loss** (TC-903; + OEP 8, Q6; TC-1057): identify them with a solprop SEP for the propagation response; + use a coupled optmat OEP for new material quantities, models or interfaces. + Tier-3 TDSE runs support the pair-frequency rule for the helium and argon continua + (TC-1049), but no published small-split amplitude is curated. Explicit approximate + responses are possible candidates; their transient behaviour is not thereby + qualified; + - **Dakka et al.'s photoionisation rate factor** (OEP 6, Q7; TC-892). +- **Converged ab initio dispersion, and the magnetic susceptibilities, of krypton and + xenon.** These would give Kr and Xe the theory backbone that He, Ne and Ar have. +- **Ultraviolet refractometry of SF6** below 458 nm, where its fit has no refractive + data but Shelton's harmonics: Wilmouth & Sayres's scattering at 264-363 nm lies about + 2 % above the model, and Ityaksov et al.'s at 198-270 nm about 5 % (TC-712, TC-150). +- **Neon's refractivity virial** (TC-744): Achtermann et al.'s 1993 optical B_R of neon + and Huot and Bose's B_ε, both as cited by Garberoglio and Harvey (2020). The package + uses Orcutt and Cole's static value, about three times theirs and the ab initio one. + Both papers are curated (TC-771) and confirm the comparison. The choice of B_R is the + author's (OEP 4, Q18). +- **The mixtures' cross second virials and densities near ambient**, for OEP 4's Phase + 2. The citations are as printed by Tkaczuk et al. (2020) and Gernert (2013): + - J. Brewer and G. W. Vaughn, J. Chem. Phys. 50, 2960 (1969); + - M. L. Martin et al., Aust. J. Chem. 35, 1525 (1982); + - W. F. Vogl and K. R. Hall, Physica 59, 529 (1972); + - N. K. Kalfoglou and J. G. Miller, J. Phys. Chem. 71, 1256 (1967); + - Vatter et al., Ber. Bunsenges. Phys. Chem. 100, 73 (1996); + - Blancett et al.'s (1970) He–Ar and Kestin et al.'s (1981) He–Ne and Ne–Ar mixture + densities. + + All are curated (TC-780 to TC-784). Still wanted: a complete copy of Blancett et al. + (the library's scan clips pp. 82-88), and density data of the Ne–Ar mixtures and of + air's pairs (N2–O2, Ar–N2, Ar–O2) near ambient, whose absence leaves those defaults + provisional (TC-779). +- **Infrared refractivity of the molecular gases**, OEP 3's validators (TC-756). The + five candidates of OEP 3's literature search are curated (TC-802 to TC-806): + Rollefson and Havens's CH4 (1.7-15 um), Matsumoto's CO2 at 10.6 um and Tsankova et + al.'s static CO are validators of the fits; Legay (1955) measured HCl alone; + Mitrofanov et al.'s group delay of air at 3.7-4.15 um is recorded without a dataset, + for want of a quantity for a group delay whose zero is not stated and of air as a + registered material. Still wanted: Statescu, Phil. Mag. 30, 737 (1915), CO2's + infrared index by the prism method. No measurement of CO or N2O between 2 and 12 um + was found. +- **Hohm's measured polarizabilities against temperature:** U. Hohm, Dissertation, TU + Braunschweig (1989), the α(ω, T) of Ar, H2, O2 and CH4 that Hohm & Kerl fit but do + not tabulate; and which of Hohm's two 1994 xenon measurements, 0.31 % apart, is + right (TC-606). +- **The molecules' polarizability away from their reference temperature:** an opt-in + correction, linear in T - T_ref where a coefficient is measured (N2, O2, CO2; TC-730), + with its wavelength dependence checked, and a model for H2's rotational average far + from room temperature. OEP 1 exposes the reference temperature and the coefficients + only (its §7.13). +- **Molecular photoabsorption:** the JILA Data Center Report No. 32 tabulations. + Olney et al.'s S(−2) of N2O is 4.7 % above the one recomputed from Chan et al.'s + published spectrum (TC-606). +- **Third-order response:** + - the calibration of the Maryland group's absolute n2: the supplemental material of + J. K. Wahlstrand, Y.-H. Cheng and H. M. Milchberg, Phys. Rev. Lett. 109, 113904 + (2012); + - any measured hyperpolarizability of N2O. +- **Ionisation:** + - static polarizabilities of Kr+, Xe+ and the molecular cations; + - tunnelling structure coefficients (MO-ADK or weak-field asymptotic) for CH4, SF6 + and N2O: L. B. Madsen et al., Phys. Rev. A 85, 053404 (2012) and 87, 013406 (2013); + - D. W. Turner, A. D. Baker, C. Baker and C. R. Brundle, Molecular Photoelectron + Spectroscopy (Wiley, 1970): the original of the N2O and CO2 vertical energies; + - a modern threshold of SF6 (Frost et al.'s 1967 value is of unstated kind); + - the source of solprop's PPT Stark shift and dipole correction, which are not in + Ilkov et al. 1992 (perhaps L. Bergé et al., Rep. Prog. Phys. 70, 1633 (2007)); + - the PPT originals: A. M. Perelomov, V. S. Popov and M. V. Terent'ev, Sov. Phys. + JETP 23, 924 (1966); A. M. Perelomov and V. S. Popov, Sov. Phys. JETP 25, 336 + (1967), which would settle the factor of 2 in Ilkov et al.'s Eq. (8); + - R. H. Garvey, C. H. Jackman and A. E. S. Green, Phys. Rev. A 12, 1144 (1975): the + model potentials behind Batishchev et al.'s and Trinh et al.'s rates. +- **Raman:** + - **for Q-branch line mixing:** relaxation-matrix (exponential-gap or + energy-corrected sudden) parameters of N2, O2 and CO2 fitted to Q-branch spectra up + to tens of atmospheres, and tabulated Q-branch widths or time-domain dephasing + measured above 10 atm, where the branch has collapsed; + - the vibrational O and S branches (their anisotropic elements beyond H2's and D2's), + and the line shapes below the Dicke cutoff (TC-686, TC-688); + - the rotational constants of N2O (a primary source; the Weber volume has none); + - the Q-branch widths of CO2 and N2O, and N2O's depolarisation ratios; + - Komasa et al.'s 2011 Supporting Information (the per-level uncertainties), and a + vocabulary quantity for rovibrational level energies to hold their tables; + - whether Murray & Javan's (1972) D2 widths are half or full widths (TC-586). +- **Ozone:** an independent zero-point vibrational correction to its polarizability, and + the supplementary material of Christodouleas et al. (2010). The higher dispersion + orders of its measured-absorption term (the GVD and beyond), which are repeated + gradients of the grid rather than derivatives of the evaluated spline (TC-732). + +**Solids** (the fused-silica models and the data curated for the next ones; TC-399, +TC-393, TC-325 onwards): + +- **solprop's solids** (TC-546, TC-619, TC-648): + - **silver and gold beyond 12.4 µm:** measured far-infrared data, such as M. A. + Ordal et al., Appl. Opt. 26, 744 (1987) (gold); only Drude curves are curated; + - **the vacuum ultraviolet of silver and gold** (40-200 nm), where the curated sources + spread by 20-50 % in k (TC-646): a modern measurement of both n and k; + - **MgF2's temperature dependence:** A. Feldman et al., NBS Tech. Note 993 (1979); +- **Silica's linear index:** + - Popova et al. (1972), the IR data behind Kitamura's model; + - the numbers behind Tan, Lemon & French's 2003 VUV constants (figures only); + - J. H. Wray and J. T. Neu, J. Opt. Soc. Am. 59, 774 (1969): silica to 1100 K. +- **Franta's model:** the supplement of the 2025 Ta2O5 paper. +- **Raman gain:** a second absolute measurement of fused silica's Raman gain, bulk or + in a pure-silica-core fibre (TC-696 rests on Stolen & Ippen's one), and its polarised + and depolarised spectra, to test Lin & Agrawal's isotropic and anisotropic parts. +- **n2:** D. Milam, M. J. Weber and A. J. Glass, Appl. Phys. Lett. 31, 822 (1977), the + fluoride crystals' n2; the other originals behind Weber, Milam & Smith's 1978 tables. +- **Damage and ionisation:** B. C. Stuart et al., J. Opt. Soc. Am. B 13, 459 (1996); + L. Sudrie et al., Phys. Rev. Lett. 89, 186601 (2002); Keldysh, Sov. Phys. JETP 20, + 1307 (1965). From 8334623eb0e6e94d2935634571aff20905d1c79d Mon Sep 17 00:00:00 2001 From: John Travers Date: Wed, 4 Nov 2026 11:13:27 +0000 Subject: [PATCH 2/2] Wrap the gallery helpers' docstrings Co-Authored-By: Claude Opus 5.5 --- docs/gallery/_helpers.py | 11 ++++++----- 1 file changed, 6 insertions(+), 5 deletions(-) diff --git a/docs/gallery/_helpers.py b/docs/gallery/_helpers.py index 9cc72f2..bd043fa 100644 --- a/docs/gallery/_helpers.py +++ b/docs/gallery/_helpers.py @@ -373,8 +373,9 @@ def fit_overview(name: str, *, xlim: tuple[float, float]) -> Figure: def solprop_defaults() -> dict[str, Model]: """Return solprop's former default formula for each gas fitted here. - From before solprop took its gases from optmat. The mapping is the one ``tests/test_solprop_parity.py`` checks (TC-100); - solprop read Ermolov's helium coefficients at 1 atm, so that model is re-referred. + From before solprop took its gases from optmat. The mapping is the one + ``tests/test_solprop_parity.py`` checks (TC-100); solprop read Ermolov's helium + coefficients at 1 atm, so that model is re-referred. Returns ------- @@ -407,9 +408,9 @@ def solprop_defaults() -> dict[str, Model]: def solprop_gamma() -> dict[str, float]: """Return solprop's former third-order coefficient of each gas as gamma_T (au). - Before it took them from optmat, solprop used one ``gamma3 = gamma_T / (6 eps0)`` per - gas for every process and wavelength; the values are the frozen fixture - ``tests/data/solprop_gamma3.json``. + Before it took them from optmat, solprop used one + ``gamma3 = gamma_T / (6 eps0)`` per gas for every process and wavelength; the values + are the frozen fixture ``tests/data/solprop_gamma3.json``. Returns -------