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Record W3038932747 · doi:10.1139/cjc-2020-0140

Approximate non-relativistic energy expression and the rotational–vibrational constants of the Tietz–Hua potential: a semiclassical approach

2020· article· en· W3038932747 on OpenAlexvenueno aff
E. Omugbe

Bibliographic record

VenueCanadian Journal of Chemistry · 2020
Typearticle
Languageen
FieldPhysics and Astronomy
TopicQuantum Mechanics and Non-Hermitian Physics
Canadian institutionsnot available
Fundersnot available
KeywordsRotational–vibrational spectroscopyWKB approximationDiatomic moleculeSemiclassical physicsChemistrySchrödinger equationAtomic physicsQuantum numberPotential energyRotational energyQuantum mechanicsSpectral linePhysicsExcited stateQuantumMolecule

Abstract

fetched live from OpenAlex

The low- and high-lying rovibrational energy levels of the Schrodinger equation with the molecular Tietz–Hua potential are obtained via the Wentzel–Kramers–Brilluoin (WKB) quantization approach. The Pekeris-type approximation scheme is applied to deal with the orbital centrifugal term of the effective potential function. The obtained energy spectra and the rotational–vibrational (rovibrational) coefficients for [Formula: see text], [Formula: see text], [Formula: see text], and [Formula: see text] diatomic molecules were compared with the ones obtained by other analytical methods and available experimental data in the literature. The results revealed that the accuracy of the energy spectra for the high-lying rovibrational quantum states may depend on the rotational-vibrational constants.

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 machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.001
metaresearch head score (Gemma)0.001
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Theoretical or conceptual · Consensus signal: Theoretical or conceptual
GenreCandidate signal: Empirical · Consensus signal: none
Teacher disagreement score0.004
Threshold uncertainty score0.012

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0010.001
Meta-epidemiology (narrow)0.0010.000
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0010.001
Science and technology studies0.0010.001
Scholarly communication0.0010.002
Open science0.0020.001
Research integrity0.0010.001
Insufficient payload (model declined to judge)0.0040.001

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 head0.008
GPT teacher head0.186
Teacher spread0.178 · 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 source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designTheoretical or conceptual
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

Citations13
Published2020
Admission routes1
Has abstractyes

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