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Record W1678695038 · doi:10.1063/1.1787488

Energy levels and wave functions of weakly-bound Hex4 20NeyH (x+y=2) systems using Pekeris coordinates and a symmetry-adapted Lanczos approach

2004· article· en· W1678695038 on OpenAlexafffund
Yong Dong Liu, Pierre–Nicholas Roy

Bibliographic record

VenueThe Journal of Chemical Physics · 2004
Typearticle
Languageen
FieldPhysics and Astronomy
TopicAdvanced Chemical Physics Studies
Canadian institutionsUniversity of Alberta
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsLanczos resamplingSymmetry (geometry)Bound stateRecursion (computer science)Wave functionEnergy (signal processing)Coordinate systemPhysicsUpper and lower boundsMathematical analysisAtomic physicsMathematicsQuantum mechanicsGeometryAlgorithm

Abstract

fetched live from OpenAlex

Energy levels and wave functions of floppy triatomic rare gas hydrides are calculated using a Pekeris coordinate system and the importance of various triangular configurations is assessed through the calculation of reduced distribution functions and relative weights. The calculations are performed using a symmetry-adapted Lanczos recursion within the discrete variable representation. For the 4He2H- anion, the present results are compared with those obtained from calculations based on other methods, and the accuracy of the present method is discussed. Calculations are also performed for the case of 4He2H and 20Ne2H, as well as for the mixed 4He 20NeH neutrals. Our results show that no bound states are found for 4He2H while only one bound state is found for both the 20Ne2H and 4He 20NeH complexes. Interestingly, a very important and common property of these systems is that there is a significant contribution from linear configurations to their bound states.

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 score0.350
Threshold uncertainty score0.639

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0010.000
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 head0.028
GPT teacher head0.240
Teacher spread0.213 · 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

Citations23
Published2004
Admission routes2
Has abstractyes

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