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Tight distance-dependent estimators for screening two-center and three-center short-range Coulomb integrals over Gaussian basis functions

The Journal of Chemical Physics(2021)10.1063/5.0064151Source: DataRank Database

Tight distance-dependent estimators for screening two-center and three-center short-range Coulomb integrals over Gaussian basis functions is a research paper published in The Journal of Chemical Physics (2021). On theSindex it has a DataRank of 0.

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datarank_citation_only_1hop_v6· scope data_onlyMethodology

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Enrichment:Funding (5 grants)Impact (FWCI 0.00)OA: greenTopics (28)IDs (PubMed, PMC, OpenAlex)SDGs (1)

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Findable (1/2)

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Accessible (1/2)

Open Access

Interoperable (0/2)

Reusable (0/3)

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Authors (2)

Timothy C. Berkelbach ORCID,Hong‐Zhou Ye

Live enrichment

PubMed:34598553 PMC:PMC8463098 OpenAlex:https://openalex.org/W3184173514

National Science Foundation

Grant: OAC-1931321

National Institutes of Health

Grant: 1G20RR030893-01

Core Research Computing Facility

Empire State Development’s Division of Science, Technology and Innovation

Grant: C090171

NCRR NIH HHS

Grant: G20 RR030893

National Science Foundation

Grant: 1931321

Collaborative Research: Frameworks: Scalable Modular Software and Methods for High-Accuracy Materials and Condensed Phase Chemistry Simulation

FWCI

0.00

Citation Percentile

0.0%

greenLicense: CC BY

repositoryhttps://arxiv.org/pdf/2107.09704

publisherhttps://pubs.aip.org/aip/jcp/article-pdf/doi/10.1063/5.0064151/15616715/124106_1_online.pdf

repositoryhttp://arxiv.org/abs/2107.09704

journalhttps://doi.org/10.1063/5.0064151

Fields of Study

Nuclear physics research studiesNuclear reactor physics and engineeringNuclear Physics and Applications0103 physical sciences02 engineering and technology0210 nano-technology01 natural sciences

Keywords

EstimatorCoulombCenter (category theory)GaussianRange (aeronautics)PhysicsGuiding centerScalingMathematicsMathematical analysisStatistical physicsQuantum mechanicsElectronGeometryStatisticsChemistryChemical Physics (physics.chem-ph)Physics - Chemical PhysicsFOS: Physical sciencesComputational Physics (physics.comp-ph)Physics - Computational Physics

Sustainable Development Goals

SDG 16: 16. Peace & justice