Evidence map›Paper›PMID 39205486›Full record

ArticleThe journal of physical chemistry. A2024

A Low-Order Permutationally Invariant Polynomial Approach to Learning Potential Energy Surfaces Using the Bond-Order Charge-Density Matrix: Application to C

Jose Gutierrez-Cardenas, Benjamin D Gibbas, Kyle Whitaker, Martina Kaledin, Alexey L Kaledin

Abstract read
In one paragraph

Article in The journal of physical chemistry. A, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

0numbers the graph read from it
0cells of the map it votes in
1citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

1 citing paper in PubMed.

  1. Article
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

5 authors.

Jose Gutierrez-CardenasDepartment of Chemistry & Biochemistry, Kennesaw State University, 370 Paulding Ave NW ,Box#1203,Kennesaw 30144, Georgia.ORCID 0009-0000-6445-7016
Benjamin D GibbasDepartment of Chemistry & Biochemistry, Kennesaw State University, 370 Paulding Ave NW ,Box#1203,Kennesaw 30144, Georgia.
Kyle WhitakerDepartment of Chemistry & Biochemistry, Kennesaw State University, 370 Paulding Ave NW ,Box#1203,Kennesaw 30144, Georgia.
Martina KaledinDepartment of Chemistry & Biochemistry, Kennesaw State University, 370 Paulding Ave NW ,Box#1203,Kennesaw 30144, Georgia.ORCID 0000-0003-1763-3552
Alexey L KaledinCherry L. Emerson Center for Scientific Computation and Department of Chemistry, Emory University, 1515 Dickey Drive ,Atlanta 30322, Georgia.ORCID 0000-0003-3112-3989

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

A representation for learning potential energy surfaces (PESs) in terms of permutationally invariant polynomials (PIPs) using the Hartree-Fock expression for electronic energy is proposed. Our approach is based on the one-electron core Hamiltonian weighted by the configuration-dependent elements of the bond-order charge density matrix (CDM). While the previously reported model used an

Identifiers

PMID39205486
PMCPMC11407436

What OpenQuestion holds

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LicenceCC BY
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Registered trials

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.