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Record W2072340926 · doi:10.1139/v10-030

Theoretical study of the rovibrational spectrum of He<sub>2</sub>–OCS

2010· article· en· W2072340926 on OpenAlexafffundvenue
Xiaogang Wang

Bibliographic record

VenueCanadian Journal of Chemistry · 2010
Typearticle
Languageen
FieldPhysics and Astronomy
TopicQuantum, superfluid, helium dynamics
Canadian institutionsQueen's University
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsRotational–vibrational spectroscopyLanczos resamplingChemistryDipoleMicrowavevan der Waals forceAtomic physicsSpectral lineComputational chemistryQuantum mechanicsPhysicsEigenvalues and eigenvectorsMolecule

Abstract

fetched live from OpenAlex

We report calculated microwave and infrared rovibrational transitions of the van der Waals complex He 2 –OCS. The calculations were done using a product basis, a Lanczos eigensolver, and potentials built from He–OCS, and He–He potential functions taken from the literature. All five of the large amplitude coordinates are treated exactly and calculations are done for J values up to five. All rovibrational levels are converged to 0.001 cm –1 by using basis sets with as many as 87 million funcions. Good agreement is found with previously reported experimental results. Although we assume that the dipole moment is along the OCS axis, we find transitions with appreciable intensity between different torsion states.

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 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 categoriesInsufficient payload (model declined to judge)
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 score0.210
Threshold uncertainty score1.000

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 integrity0.0000.001
Insufficient payload (model declined to judge)0.0010.000

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 head0.003
GPT teacher head0.182
Teacher spread0.180 · 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

Classification

machine, unvalidated

Machine predicted; a candidate call from one teacher head, not a consensus.

Study designBench or experimental
Domainnot available
GenreEmpirical

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".

Quick stats

Citations8
Published2010
Admission routes3
Has abstractyes

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