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Record W3037033768 · doi:10.1063/5.0006365

Non-Hermitian quantum mechanics and exceptional points in molecular electronics

2020· article· en· W3037033768 on OpenAlexafffund
Matthias Ernzerhof, Alexandre Giguère, Didier Mayou

Bibliographic record

VenueThe Journal of Chemical Physics · 2020
Typearticle
Languageen
FieldPhysics and Astronomy
TopicQuantum Mechanics and Non-Hermitian Physics
Canadian institutionsRoyal Military College Saint-JeanUniversité de Montréal
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsEigenvalues and eigenvectorsHamiltonian (control theory)Hermitian matrixQuantum mechanicsHomogeneous spaceQuantumPhysicsTheoretical physicsClassical mechanicsMathematicsGeometry

Abstract

fetched live from OpenAlex

In non-Hermitian (NH) quantum mechanics, Hamiltonians are studied whose eigenvalues are not necessarily real since the condition of hermiticity is not imposed. Certain symmetries of NH operators can ensure that some or all of the eigenvalues are real and thus suitable for the description of physical systems whose energies are always real. While the mathematics of NH quantum mechanics is well developed, applications of the theory to real quantum systems are scarce, and no closed system is known whose Hamiltonian is NH. Here, we consider the elementary textbook example of a NH Hamiltonian matrix, and we show how it naturally emerges as a simplifying concept in the modeling of molecular electronic devices. We analyze the consequences of non-Hermiticity and exceptional points in the spectrum of NH operators for the molecular conductance and the spectral density of simple models for molecules on surfaces.

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: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.452
Threshold uncertainty score0.687

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 integrity0.0000.001
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 head0.230
Teacher spread0.221 · 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

Citations15
Published2020
Admission routes2
Has abstractyes

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