Evidence map›Paper›PMID 40758423›Full record

ArticleThe journal of physical chemistry letters2025

Simplified, Physically Motivated, and Broadly Applicable Range-Separation Tuning.

Aditi Singh, Subrata Jana, Lucian A Constantin, Fabio Della Sala, Prasanjit Samal, Szymon Śmiga

Abstract read
In one paragraph

Article in The journal of physical chemistry letters, 2025. 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

6 authors.

Aditi SinghInstitute of Physics, Faculty of Physics, Astronomy and Informatics, Nicolaus Copernicus University, Grudziadzka 5, 87-100 Toruń, Poland.ORCID 0009-0000-0192-4609
Subrata JanaInstitute of Physics, Faculty of Physics, Astronomy and Informatics, Nicolaus Copernicus University in Toruń, ul. Grudzia̧dzka 5, 87-100 Toruń, Poland.ORCID 0000-0002-3736-1948
Lucian A ConstantinInstitute for Microelectronics and Microsystems (CNR-IMM), 73100 Lecce, Italy.ORCID 0000-0001-8923-3203
Fabio Della SalaInstitute for Microelectronics and Microsystems (CNR-IMM), 73100 Lecce, Italy.ORCID 0000-0003-0940-8830
Prasanjit SamalSchool of Physical Sciences, National Institute of Science Education and Research, An OCC of Homi Bhabha National Institute, Bhubaneswar 752050, India.ORCID 0000-0002-0234-8831
Szymon ŚmigaInstitute of Physics, Faculty of Physics, Astronomy and Informatics, Nicolaus Copernicus University in Toruń, ul. Grudzia̧dzka 5, 87-100 Toruń, Poland.ORCID 0000-0002-5941-5409

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Range-separated hybrid (RSH) functionals with "ionization energy" and/or "optimal tuning" of the screening parameter have proven to be among the most practical and accurate approaches for describing excited-state properties across a wide range of systems, including condensed matter. However, this method typically requires multiple self-consistent calculations and can become computationally expensive and unstable, particularly for extended systems. In this work, we propose a very simple and efficient alternative approach to determine the screening parameter for RSH functionals solely on the basis of the total electron density of the system and the compressibility sum rule of density functional theory (DFT). This effective screening parameter achieves remarkable accuracy, particularly for charge-transfer excitations, surpassing the performance of previously suggested alternatives. Because it relies on only the electron density, the proposed approach is physically transparent and highly practical to automate DFT calculations in large and complex systems, including bulk solids, where "tuning" is not possible.

Identifiers

PMID40758423
PMCPMC12359113

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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.