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Record W2016465471 · doi:10.1002/qua.560020732

Two-electron theory of surface and impurity states

2009· article· en· W2016465471 on OpenAlexaff
S.G. Davison, Yaqi Cheng

Bibliographic record

VenueInternational Journal of Quantum Chemistry · 2009
Typearticle
Languageen
FieldPhysics and Astronomy
TopicAdvanced Chemical Physics Studies
Canadian institutionsUniversity of Waterloo
Fundersnot available
KeywordsElectronSurface statesAtomic physicsImpuritySurface (topology)Spin (aerodynamics)Band gapChemistryCondensed matter physicsPhysicsMolecular physicsQuantum mechanicsGeometry

Abstract

fetched live from OpenAlex

The effect of electron-electron interactions is taken into account, by employing LÖwdin's alternant molecular orbital method, within the framework of the tight-binding approximation. The energy spectrum of the α- and β-spin electrons in a contaminated finite linear crystal is examined, and found to consist of two bands separated by a forbidden energy gap, whose width is proportional to the amount of electron-electron interaction present. Depending on certain conditions, the surface energy levels can lie outside the bands (outer states) and/or in the gap between them (inner states), while at the impurity the electrons occupy only outer or only inner states. In the case of surface states, both Tamm and Shockley types are discussed.

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 score0.430
Threshold uncertainty score0.328

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 head0.007
GPT teacher head0.286
Teacher spread0.279 · 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

Citations2
Published2009
Admission routes1
Has abstractyes

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