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Record W2774553450 · doi:10.1139/cjp-2017-0728

Fourier transform of hydrogen-type atomic orbitals

2017· article· en· W2774553450 on OpenAlexvenueno aff
Niyazi Yükçü, Sılay Aytaç Yükçü

Bibliographic record

VenueCanadian Journal of Physics · 2017
Typearticle
Languageen
FieldMathematics
TopicMathematical functions and polynomials
Canadian institutionsnot available
Fundersnot available
KeywordsPhysicsLinear combination of atomic orbitalsFourier transformSlater-type orbitalExponential typeLaguerre polynomialsAtomic orbitalCubic harmonicHypergeometric functionComplete active spaceQuantum mechanicsMathematical analysisMathematics

Abstract

fetched live from OpenAlex

Hydrogen-type atomic orbitals (HTOs) are an important type of exponential-type orbital. These orbitals have some mathematical properties and they are used usually in the theoretical atomic and molecular investigations as special functions to figure out analytical expressions. The Fourier transform method is a great way to convert basis functions into the momentum space, because their Fourier transforms are easier to use in mathematical calculations. In this paper, we obtain new and useful mathematical representations for the Fourier transform of HTOs related with Gegenbauer polynomials and hypergeometric functions, by using recurrence relations of Laguerre polynomials, Rayleigh expansion and some properties of normalized HTOs.

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)0.002
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 score0.005
Threshold uncertainty score0.016

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.002
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0010.001
Science and technology studies0.0000.001
Scholarly communication0.0010.002
Open science0.0010.001
Research integrity0.0000.001
Insufficient payload (model declined to judge)0.0050.001

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 head0.058
GPT teacher head0.300
Teacher spread0.242 · 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

Citations5
Published2017
Admission routes1
Has abstractyes

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