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Record W1992038589 · doi:10.1142/s0219633607002782

AN INTERESTING RELATIONSHIP BETWEEN INTERELECTRONIC DISTANCE AND THE CORRESPONDING COULOMB INTEGRAL

2007· article· en· W1992038589 on OpenAlexaff
Joshua W. Hollett, Raymond A. Poirier

Bibliographic record

VenueJournal of Theoretical and Computational Chemistry · 2007
Typearticle
Languageen
FieldPhysics and Astronomy
TopicAtomic and Molecular Physics
Canadian institutionsMemorial University of Newfoundland
Fundersnot available
KeywordsElectronDelocalized electronCore electronCoulombPhysicsSinglet stateAtomic physicsOpen shellChemistryQuantum mechanicsExcited state

Abstract

fetched live from OpenAlex

A simple expression for the distance between two electrons, (δr 12 ) ab , has been defined from one-electron expectation values. This value is calculated for triplet and singlet systems of two electrons, and closed-shell molecules of up to 58 electrons. When (δr 12 ) ab is compared to the corresponding coulomb integral, J ab , an interesting relationship is observed. The relationship is followed extremely closely by all pairs of electrons, except for some deviations involving delocalized core–core electron pairs.

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)0.001
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: Theoretical or conceptual · Consensus signal: Theoretical or conceptual
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.376
Threshold uncertainty score0.208

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.000
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 head0.007
GPT teacher head0.272
Teacher spread0.265 · 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 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

Citations4
Published2007
Admission routes1
Has abstractyes

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