Evidence map›Paper›PMID 42164962›Full record

ArticlePhysical review. B2026

Correcting Delocalization Error in Materials with Localized Orbitals and Linear-Response Screening.

Jacob Z Williams, Weitao Yang

Abstract read
In one paragraph

Article in Physical review. B, 2026. 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

2 authors.

Jacob Z WilliamsDepartment of Chemistry, Duke University, Durham, NC 27708, USA.
Weitao YangDepartment of Chemistry, Duke University, Durham, NC 27708, USA and Department of Physics, Duke University, Durham, NC 27708, USA.

Funding

Computer Simulations of EnzymesR35GM158181 · NIGMS · DUKE UNIVERSITY · PI Weitao Yang · 2025 to 2026
$743k
NIGMS NIH HHS R35 GM158181
6 · The paper itself

Abstract

Delocalization error prevents density functional theory (DFT) from reaching its full potential, causing problems like systematically underestimated band gaps and misaligned energy levels at interfaces. We introduce lrLOSC to correct delocalization error in materials over a wide range of band gaps. We predict eleven materials' fundamental gaps to within 0.22 eV, while offering a nonzero total energy correction; molecular properties are improved with a parallel implementation of the same theory [

Identifiers

PMID42164962
PMCPMC13186407

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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.