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Record W1963783065 · doi:10.1021/jp904778f

Theoretical and Experimental Study of the Rovibrational Spectrum of He<sub>2</sub>−CO

2009· article· en· W1963783065 on OpenAlexaff
Xiaogang Wang, Tucker Carrington, A. R. W. McKellar

Bibliographic record

VenueThe Journal of Physical Chemistry A · 2009
Typearticle
Languageen
FieldPhysics and Astronomy
TopicQuantum, superfluid, helium dynamics
Canadian institutionsSteacie Institute for Molecular SciencesQueen's University
Fundersnot available
KeywordsRotational–vibrational spectroscopyvan der Waals forceLanczos resamplingAtomic physicsChemistryDipoleBasis setMicrowavePhysicsComputational chemistryMoleculeQuantum mechanicsDensity functional theoryExcited state

Abstract

fetched live from OpenAlex

We report calculated microwave and infrared ro-vibrational transitions of the van der Waals complex He(2)-CO. The calculations were done using a product basis and a Lanczos eigensolver, together with He-CO and He-He potential functions taken from the literature. The results are found to be in good agreement with previously reported experimental results, and they enable the experimental assignments to be clarified, augmented, and (in one case) corrected. Unlike some other van der Waals complexes with two He atoms such as He(2)-N(2)O, it is not possible to associate a set of energy levels with the "torsional" motion of the two He atoms on a ring encircling the dopant (in this case CO). Although we assume that the dipole moment is along the CO axis we find nonetheless that many transitions have appreciable intensity due to ro-vibrational coupling.

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 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 score0.009
Threshold uncertainty score0.305

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 head0.004
GPT teacher head0.235
Teacher spread0.231 · 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.

The models applied no category: nothing in the taxonomy fit this work.
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

Citations21
Published2009
Admission routes1
Has abstractyes

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