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PROGRESS IN THE THEORY OF MIXED QUANTUM-CLASSICAL DYNAMICS

2005· article· en· W2155920106 on OpenAlex

Why this work is in the frame

A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.

affAt least one author lists a Canadian institution in the pinned OpenAlex snapshot.
fundA Canadian funder is recorded on the work.

Bibliographic record

VenueAnnual Review of Physical Chemistry · 2005
Typearticle
Languageen
FieldPhysics and Astronomy
TopicSpectroscopy and Quantum Chemical Studies
Canadian institutionsUniversity of Toronto
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsQuantumQuantum dynamicsPhysicsDissipative systemDegrees of freedom (physics and chemistry)Classical mechanicsQuantum processClassical limitQuantum dissipationEquations of motionQuantum mechanicsStatistical physics

Abstract

fetched live from OpenAlex

Quantum-classical Liouville dynamics can be used to study the properties of open quantum systems that are coupled to bath or environmental degrees of freedom whose dynamics can be approximated by classical equations of motion. In contrast to many open quantum system approaches, quantum-classical dynamics provides a detailed description of the bath molecules. Such a description is especially appropriate for the study of quantum rate processes, such as proton and electron transport, where the detailed dynamics of the bath has a strong influence on the quantum rate. The quantum-classical Liouville equation can also serve as a starting point for the derivation of reduced descriptions where all or some of the bath degrees of freedom are projected out. Quantum-classical Liouville dynamics can be simulated in terms of an ensemble of surface-hopping trajectories whose character differs from that in other surface-hopping schemes. The results of studies of proton transfer in condensed phase and reactive dynamics in a dissipative environment are presented to illustrate applications of the formalism.

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.

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: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.847
Threshold uncertainty score0.426

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 head0.289
Teacher spread0.282 · 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