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Record W2079291297 · doi:10.1103/physreva.79.062712

Nonrelativistic<i>ab initio</i>calculations for<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mn>2</mml:mn><mml:mtext> </mml:mtext><mml:mmultiscripts><mml:mi>S</mml:mi><mml:mprescripts/><mml:none/><mml:mn>2</mml:mn></mml:mmultiscripts></mml:mrow></mml:math>,<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mn>2</mml:mn><mml:mtext> </mml:mtext><mml:mmultiscripts><mml:mi>P</mml:mi><mml:mprescripts/><mml:none/><mml:mn>2</mml:mn></mml:mmultiscripts></mml:mrow></mml:math>, and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mn>3</mml:mn><mml:mtext> </mml:mtext><mml:mmultiscripts><mml:mi>D</mml:mi><mml:mprescripts/><mml:none/><mml:mn>2</mml:mn></mml:mmultiscripts></mml:mrow></mml:math>lithium isotopes: Applications to polarizabilities and dispersion interactions

2009· article· lv· W2079291297 on OpenAlexaff
Li-Yan Tang, Zong-Chao Yan, Ting-Yun Shi, J. F. Babb

Bibliographic record

VenuePhysical Review A · 2009
Typearticle
Languagelv
FieldPhysics and Astronomy
TopicAdvanced Chemical Physics Studies
Canadian institutionsUniversity of New Brunswick
Fundersnot available
KeywordsPolarizabilityPhysicsAb initioExcited stateGround stateAtomic physicsCrystallographyChemistryQuantum mechanics

Abstract

fetched live from OpenAlex

The electric dipole polarizabilities and hyperpolarizabilities for the lithium isotopes $^{6}\text{L}\text{i}$ and $^{7}\text{L}\text{i}$ in the ground state $2\text{ }^{2}S$ and the excited states $2\text{ }^{2}P$ and $3\text{ }^{2}D$, as well as the leading resonance and dispersion long-range coefficients for the $\text{Li}(2\text{ }^{2}S)\text{\ensuremath{-}}\text{Li}(2\text{ }^{2}S)$ and $\text{Li}(2\text{ }^{2}S)\text{-Li}(2\text{ }^{2}P)$ systems, are calculated nonrelativistically using variational wave functions in Hylleraas basis sets. Comparisons are made with published results, where available. We find that the value of the second hyperpolarizability of the $2\text{ }^{2}S$ state is sensitive to the isotopic mass due to a near cancellation between two terms. For the $3\text{ }^{2}D$ state polarizability tensor, the calculated components disagree with those measured in the sole experiment and with those calculated semiempirically.

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)0.006
metaresearch head score (Gemma)0.008
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow), Meta-epidemiology (broad), Science and technology studies, Scholarly communication, Open science, Research integrity, Insufficient payload (model declined to judge)
Consensus categoriesMeta-epidemiology (narrow), Science and technology studies, Open science, Research integrity, Insufficient payload (model declined to judge)
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.665
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0060.008
Meta-epidemiology (narrow)0.0060.011
Meta-epidemiology (broad)0.0030.010
Bibliometrics0.0030.006
Science and technology studies0.0100.010
Scholarly communication0.0080.009
Open science0.0100.011
Research integrity0.0090.011
Insufficient payload (model declined to judge)0.1410.008

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 head0.023
GPT teacher head0.272
Teacher spread0.249 · 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; both teacher heads agree on what is shown here.

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

Citations51
Published2009
Admission routes1
Has abstractyes

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Same venuePhysical Review ASame topicAdvanced Chemical Physics StudiesFrench-language works237,207