Evidence map›Paper›PMID 41850891›Full record

ArticleJournal of chemical theory and computation2026

Accurate Core-Level Ionization Energies from an Affordable Second-Order Approach.

Dávid Mester, Mihály Kállay

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. 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.

Dávid MesterDepartment of Physical Chemistry and Materials Science, Faculty of Chemical Technology and Biotechnology, Budapest University of Technology and Economics, Műegyetem rkp. 3., H-1111 Budapest, Hungary.ORCID 0000-0001-6570-2917
Mihály KállayDepartment of Physical Chemistry and Materials Science, Faculty of Chemical Technology and Biotechnology, Budapest University of Technology and Economics, Műegyetem rkp. 3., H-1111 Budapest, Hungary.ORCID 0000-0003-1080-6625

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

An approach is proposed for the accurate calculation of core-level ionization potentials (IPs) using second-order methods. The assessed theoretical frameworks are based on the iterative second-order algebraic-diagrammatic construction [ADC(2)] and configuration interaction singles with perturbative second-order correction [CIS(D)] methods. Here, our efficient implementations of IP-ADC(2) and IP-CIS(D) [Mester, D.; Kállay, M.

Identifiers

PMID41850891
PMCPMC13085246

What OpenQuestion holds

Textmetadata
LicenceCC BY
Read underepoch 390

Registered trials

None linked

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.