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Record W2047326454 · doi:10.1103/physreva.65.032508

Electron correlation and the eigenvalues of the one-matrix

2002· article· en· W2047326454 on OpenAlexafffund
Garry T. Smith, Hartmut Schmider, Vedene H. Smith

Bibliographic record

VenuePhysical Review A · 2002
Typearticle
Languageen
FieldPhysics and Astronomy
TopicAdvanced Thermodynamics and Statistical Mechanics
Canadian institutionsQueen's University
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsPhysicsEigenvalues and eigenvectorsMonotonic functionConvex hullEntropy (arrow of time)Density matrixStatistical physicsEntropy maximizationCovariance matrixMaximizationConjectureRegular polygonQuantum mechanicsMathematical physicsPure mathematicsMathematical analysisPrinciple of maximum entropyMathematicsQuantumStatisticsMathematical optimization

Abstract

fetched live from OpenAlex

The Jaynes entropy of the one-particle reduced density matrix is examined within the context of the convex set of N-representable one-matrices. The monotonic relationship of the Jaynes entropy with distance from the hull of the convex set is highlighted, and we show that the Jaynes entropy is monotonically related to the density-functional definition of the correlation energy, thus qualifying a conjecture of Collins which assumed a simple proportionality. It is further suggested that maximization of the Jaynes entropy subject to the constraints of fixed density and kinetic energy picks out the true one-matrix.

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: Theoretical or conceptual · Consensus signal: Theoretical or conceptual
GenreCandidate signal: Empirical · Consensus signal: none
Teacher disagreement score0.735
Threshold uncertainty score0.137

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 head0.010
GPT teacher head0.285
Teacher spread0.274 · 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

Citations28
Published2002
Admission routes2
Has abstractyes

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