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Record W2105605992 · doi:10.1002/qua.10622

Sufficient condition for monotonic electron density decay in many‐electron systems

2003· article· en· W2105605992 on OpenAlexafffund
Paul W. Ayers, Robert G. Parr

Bibliographic record

VenueInternational Journal of Quantum Chemistry · 2003
Typearticle
Languageen
FieldPhysics and Astronomy
TopicAdvanced Chemical Physics Studies
Canadian institutionsMcMaster University
FundersUniversity of North Carolina at Chapel HillCanada Research Chairs
KeywordsMonotonic functionPauli exclusion principleElectronElectron densityKinetic energyQuantumGround stateChemistryPhysicsAtomic physicsQuantum mechanicsMathematicsMathematical analysis

Abstract

fetched live from OpenAlex

Abstract For one‐electron systems, if the external potential increases monotonically from the nucleus the ground‐state electron density is monotonic. For two‐electron densities, similar results hold for the Kohn–Sham potential. Similarly, for many‐electron systems monotonicity of the sum of the Kohn–Sham potentials and “Pauli potential” (from the correction to the Weisacker kinetic energy) is sufficient for monotonic decay of the electron density. © 2003 Wiley Periodicals, Inc. Int J Quantum Chem, 2003

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 score0.096
Threshold uncertainty score0.542

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 head0.009
GPT teacher head0.286
Teacher spread0.277 · 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

Citations22
Published2003
Admission routes2
Has abstractyes

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