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Record W2796945140 · doi:10.1139/cjp-2017-0387

The vibrational spectra of carbon dioxide and nitrous oxide: A Lie algebraic study

2018· article· en· W2796945140 on OpenAlexvenueno aff
Mahua Acharjee, Joydeep Choudhury, Rupam Sen, Bidhan Mohanta

Bibliographic record

VenueCanadian Journal of Physics · 2018
Typearticle
Languageen
FieldPhysics and Astronomy
TopicAdvanced Chemical Physics Studies
Canadian institutionsnot available
Fundersnot available
KeywordsAnharmonicityPhysicsTriatomic moleculeDegeneracy (biology)MoleculeAlgebraic numberQuantum mechanicsAtomic physicsMolecular physicsMathematical analysis

Abstract

fetched live from OpenAlex

The infrared vibrational levels of nitrous oxide (N2O) and carbon dioxide (CO2) are studied in the framework of Lie algebra. The aim of this work is to compare the frequency obtained in two algebraic models: “the vibron model” and “the mean field approximation of the vibron model”. To compare the two models we choose two triatomic molecules: CO2 of symmetry type D∞h and N2O of symmetry type C∞v. To construct the energy levels in the vibron model, the vibron numbers N for the two molecules are estimated from the harmonic frequency and the anharmonicity constant. After the proper estimation of N, the algebraic interaction parameters for both the molecules are evaluated against a least square fit with the experimental values using MATLAB R2015. Using the algebraic interaction parameters, the vibrational frequencies for the two molecules are calculated. Because CO2 is a linear symmetric triatomic molecule, the higher vibrational levels are largely affected by the mode mixing due to accidental degeneracy. The accidental degeneracy is studied introducing the Majorana and Fermi interaction parameters and the rms deviations are observed. The effects of accidental degeneracy for each of the molecules are not equal. In the second part of this report, the harmonic frequencies of CO2 and N2O are calculated using the mean field approximation. It is found that the results show good agreement.

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)0.000
metaresearch head score (Gemma)0.000
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: Empirical
Teacher disagreement score0.002
Threshold uncertainty score0.006

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0010.000
Science and technology studies0.0000.001
Scholarly communication0.0000.001
Open science0.0010.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0020.000

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 head0.009
GPT teacher head0.224
Teacher spread0.216 · 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

Citations3
Published2018
Admission routes1
Has abstractyes

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