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Record W2319492168 · doi:10.1103/physreva.90.032516

Variational energy bounds for the hydrogen molecular ion

2014· article· en· W2319492168 on OpenAlexafffund
Ning Ye, Zong-Chao Yan

Bibliographic record

VenuePhysical Review A · 2014
Typearticle
Languageen
FieldPhysics and Astronomy
TopicAtomic and Molecular Physics
Canadian institutionsUniversity of New Brunswick
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsPhysicsExcited stateIonHomogeneous spaceGround stateAtomic physicsVariational methodEnergy (signal processing)Hydrogen moleculeHydrogenValue (mathematics)Quantum mechanicsGeometry

Abstract

fetched live from OpenAlex

We report a high-precision calculation for the hydrogen molecular ion ${\text{H}}_{2}^{+}$ by using a variational method in Hylleraas coordinates. The calculated nonrelativistic ground-state energy is accurate to 2 parts in ${10}^{34}$, which represents a more than 3 orders of magnitude improvement over the best previous value of Hijikata et al. [J. Chem. Phys. 130, 024102 (2009)]. For the first excited states of $S$ and $P$ symmetries, the achieved precision is about 2 parts in ${10}^{31}$ and 3 parts in ${10}^{29}$, respectively. Comparison with other calculations are made.

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 machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.002
metaresearch head score (Gemma)0.003
Version: metacan-v3-hybrid-931329e0061cValidation 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 score0.007
Threshold uncertainty score0.014

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0020.003
Meta-epidemiology (narrow)0.0010.000
Meta-epidemiology (broad)0.0010.001
Bibliometrics0.0010.001
Science and technology studies0.0010.002
Scholarly communication0.0010.001
Open science0.0020.002
Research integrity0.0010.001
Insufficient payload (model declined to judge)0.0040.001

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 head0.267
Teacher spread0.260 · 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 source (direct Gemma or distilled Codex), 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

Citations21
Published2014
Admission routes2
Has abstractyes

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