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Record W4391591281 · doi:10.48550/arxiv.2402.02677

Tunable-fidelity wave functions for the \textit{ab initio} description of scattering and reactions

2024· preprint· en· W4391591281 on OpenAlexfundno aff
Konstantinos Kravvaris, Sofia Quaglioni, P. Navrátil

Bibliographic record

VenuearXiv (Cornell University) · 2024
Typepreprint
Languageen
FieldChemistry
TopicAdvanced NMR Techniques and Applications
Canadian institutionsnot available
FundersLawrence Livermore National LaboratoryNuclear PhysicsNatural Sciences and Engineering Research Council of CanadaOffice of ScienceAdvanced Scientific Computing ResearchTRIUMFU.S. Department of Energy
KeywordsAb initioScatteringFidelityHigh fidelityWave functionPhysicsMolecular physicsComputational chemistryTheoretical physicsChemistryQuantum mechanicsComputer scienceAcousticsTelecommunications

Abstract

fetched live from OpenAlex

The no-core shell model (NCSM) is an \textit{ab initio} method that solves the nuclear many-body problem by expanding the many-particle wave function into a (typically) harmonic oscillator basis and minimizing the energy to obtain the expansion coefficients. Extensions of the NCSM, such as its coupling with microscopic-cluster basis states, further allow for an \textit{ab initio} treatment of light-ion nuclear reactions of interest for both astrophysics and nuclear technology applications. A downside of the method is the exponential scaling of the basis size with increasing number of nucleons and excitation quanta, which limits its applicability to mass $A\lesssim 16$ nuclei, except for variants where the basis is further down-selected via some truncation scheme. We consider a basis selection method for the NCSM that captures the essential degrees of freedom of the nuclear wave function leading to a favorable complexity scaling for calculations and enabling \textit{ab initio} reaction calculations in $sd$-shell nuclei. The particle configurations within the NCSM basis are ordered based on their contribution to the first moment of the Hamiltonian matrix that results from the projection onto the many-body basis. The truncation scheme then consists in retaining only the lowest-first-moment configurations, which typically contain only few many-body basis states (Slater determinants). We present calculations for $^7$Li and $n+^{12}$C scattering using nucleon-nucleon interactions derived from chiral effective field theory and softened using the similarity renormalization group method. The obtained energy levels invariably demonstrate exponential convergence with the size of the basis, and we find improved convergence in scattering calculations. To demonstrate the possibilities enabled by the approach, we also present a first calculation for the scattering of neutrons from $^{24}$Mg.

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)0.001
metaresearch head score (Gemma)0.002
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: Theoretical or conceptual
GenreCandidate signal: Empirical · Consensus signal: none
Teacher disagreement score0.010
Threshold uncertainty score0.032

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0010.002
Meta-epidemiology (narrow)0.0010.000
Meta-epidemiology (broad)0.0010.001
Bibliometrics0.0010.001
Science and technology studies0.0010.001
Scholarly communication0.0010.001
Open science0.0030.001
Research integrity0.0020.002
Insufficient payload (model declined to judge)0.0100.002

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 head0.129
GPT teacher head0.229
Teacher spread0.100 · 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

Citations0
Published2024
Admission routes1
Has abstractyes

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