Evidence map›Paper›PMID 39288307›Full record

ArticleJournal of chemical theory and computation2024

Capturing Correlation Effects in Positron Binding to Atoms and Molecules.

Shiv Upadhyay, Anouar Benali, Kenneth D Jordan

Abstract read
In one paragraph

Article in Journal of chemical theory and computation, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.

0numbers the graph read from it
0cells of the map it votes in
2citing 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

2 citing papers in PubMed.

  1. Article
  2. 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

3 authors.

Shiv UpadhyayDepartment of Chemistry, University of Washington, Seattle, Washington 98195, United States.ORCID 0000-0002-8501-0501
Anouar BenaliComputational Sciences Division, Argonne National Laboratory, Lemont, Illinois 60439, United States.ORCID 0000-0002-2133-0338
Kenneth D JordanDepartment of Chemistry, University of Pittsburgh, Pittsburgh, Pennsylvania 15218, United States.ORCID 0000-0001-9178-6771

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

A major challenge in contemporary electronic structure theory involves the development of methods to describe in a balanced manner the contribution of correlation effects to energy differences. This challenge can be even greater for multicomponent systems containing more than one type of quantum particle. In the present work, we describe a flexible code for carrying out self-consistent field and configuration interaction (CI) calculations on multicomponent systems and use it to generate trial wave functions for use in diffusion Monte Carlo (DMC) calculations of the positron affinity of Be, Be

Identifiers

PMID39288307
PMCPMC11603616

What OpenQuestion holds

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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.