Refractory to Improvement: A Cautionary Tale of Two-Electron Densities Computed with One-Electron Basis Sets and of Their Employment in Quantum-Chemical Formalisms

Authors

Jerzy Ciosłowski (ORCID: https://orcid.org/0000-0002-3713-9554)
Eduard Matito (ORCID: https://orcid.org/0000-0001-6895-4562)
Domin Jp

Institutions

University of Szczecin (PL)
Ikerbasque (ES)
University of the Basque Country (ES)
Institute of Physics (PL)
Max Planck Institute for the Physics of Complex Systems (DE)
Mikroelektronika (Czechia) (CZ)
Donostia International Physics Center (ES)

Publication Details

Journal: Journal of Chemical Theory and Computation
Published: 2026-07-23
DOI: https://doi.org/10.1021/acs.jctc.6c00413
Primary Topic: Advanced Chemical Physics Studies
Type: article
Field-Weighted Citation Impact: 0.00

Funders

Ministerio de Ciencia, Innovación y Universidades
Narodowe Centrum Nauki
Max-Planck-Institut für Physik Komplexer Systeme
European Regional Development Fund

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article

Refractory to Improvement: A Cautionary Tale of Two-Electron Densities Computed with One-Electron Basis Sets and of Their Employment in Quantum-Chemical Formalisms

Jerzy Ciosłowski, Eduard Matito, Domin Jp

Jul 23, 2026

Journal of Chemical Theory and Computation

Advanced Chemical Physics Studies

article

Refractory to Improvement: A Cautionary Tale of Two-Electron Densities Computed with One-Electron Basis Sets and of Their Employment in Quantum-Chemical Formalisms

Jerzy Ciosłowski, Eduard Matito, Domin Jp

July 23, 2026article en

Abstract

No abstract available for this paper.

Journal of Chemical Theory and Computation

University of Szczecin (PL), Ikerbasque (ES), University of the Basque Country (ES), Institute of Physics (PL), Max Planck Institute for the Physics of Complex Systems (DE), Mikroelektronika (Czechia) (CZ), Donostia International Physics Center (ES)

Ministerio de Ciencia, Innovación y Universidades, Narodowe Centrum Nauki, Max-Planck-Institut für Physik Komplexer Systeme, European Regional Development Fund

Decent work and economic growth

Openalex Percentile: Top 10%

Advanced Chemical Physics Studies

DOI Open Access PDF OpenAlex

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Refractory to Improvement: A Cautionary Tale of Two-Electron Densities Computed with One-Electron Basis Sets and of Their Employment in Quantum-Chemical Formalisms — Jerzy Ciosłowski, Eduard Matito, et al. · Journal of Chemical Theory and Computation (2026) | TGRS Research Map | TGRS