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Record W2019885197 · doi:10.1063/1.2753483

Accuracy of recent potential energy surfaces for the He–N2 interaction. I. Virial and bulk transport coefficients

2007· article· en· W2019885197 on OpenAlex
Ashok K. Dham, Frederick R. W. McCourt, Alan S. Dickinson

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.

affAt least one author lists a Canadian institution in the pinned OpenAlex snapshot.
fundA Canadian funder is recorded on the work.

Bibliographic record

VenueThe Journal of Chemical Physics · 2007
Typearticle
Languageen
FieldPhysics and Astronomy
TopicQuantum, superfluid, helium dynamics
Canadian institutionsUniversity of Waterloo
FundersMinistère de la Transition écologique et SolidaireUniversity of Waterloo
KeywordsAb initioVirial coefficientAb initio quantum chemistry methodsChemistryCoulombPotential energy surfacePotential energyVirial theoremPair potentialThermodynamicsAtomic physicsPhysicsQuantum mechanics

Abstract

fetched live from OpenAlex

A new exchange-Coulomb semiempirical model potential energy surface for the He-N2 interaction has been developed. Together with two recent high-level ab initio potential energy surfaces, it has been tested for the reliability of its predictions of second-virial coefficients and bulk transport phenomena in binary mixtures of He and N2. The agreement with the relevant available measurements is generally within experimental uncertainty for the exchange-Coulomb surface and the ab initio surface of Patel et al. [J. Chem. Phys. 119, 909 (2003)], but with slightly poorer agreement for the earlier ab initio surface of Hu and Thakkar [J. Chem. Phys. 104, 2541 (1996)].

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 imitation

Not 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.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.147
Threshold uncertainty score0.337

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0000.000

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.

Opus teacher head0.013
GPT teacher head0.267
Teacher spread0.255 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it