Evidence map›Paper›PMID 41591797›Full record

ArticleJournal of chemical theory and computation2026

Benchmarking Density Functional Theory for Accurate Calculation of Nitride Band Gaps.

Chris E Mohn, Helmer Fjellvåg, Ponniah Vajeeston, Martin Valldor, Kristin Bergum

Abstract read
In one paragraph

Article in Journal of chemical theory and computation, 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. A Thirty-Year Gap: Reviving All-Nitride Glasses as Processable, High-Performance Materials.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2026
    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.

Chris E MohnDepartment of Chemistry and Center for Materials Science and Nanotechnology, University of Oslo, Oslo 0371, Norway.ORCID 0000-0003-3759-9427
Helmer FjellvågDepartment of Chemistry and Center for Materials Science and Nanotechnology, University of Oslo, Oslo 0371, Norway.
Ponniah VajeestonDepartment of Chemistry and Center for Materials Science and Nanotechnology, University of Oslo, Oslo 0371, Norway.ORCID 0000-0002-5566-2429
Martin ValldorDepartment of Chemistry and Center for Materials Science and Nanotechnology, University of Oslo, Oslo 0371, Norway.ORCID 0000-0001-7061-3492
Kristin BergumDepartment of Chemistry and Center for Materials Science and Nanotechnology, University of Oslo, Oslo 0371, Norway.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

We benchmark exchange-correlation functionals for the calculation of fundamental band gaps of inorganic nitrides. These include conventional functionals such as the local density approximation (LDA), the generalized-gradient (Perdew-Burke-Ernzerhof) approximation (PBE), simple Slater exchange functionals (SLOC), specialized LDA/GGA-derived high local exchange (HLE16) and Armiento-Kümmel semilocal (AK13) functionals, meta-GGA functionals including TASK, the modified Becke-Johnson functional (mBJ), and Heyd-Scuseria-Ernzerhof (HSE06) hybrid functional, as well as quasiparticle

Identifiers

PMID41591797
PMCPMC12895411

What OpenQuestion holds

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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.