Work

Generalized spin in the variational determination of two-electron reduced density matrices within the doubly occupied configuration interaction framework

Year: 2025

Type: article

Source: The Journal of Chemical Physics

DOI: 10.1063/5.0275659

Authors: Tomás R. Ayala, Elías Ríos, Ofelia B. Oña, Luis Lain, Alicia Torre, Gustavo E. Massaccesi, Diego R. Alcoba

Institutions: Universidad de Buenos Aires, Consejo Nacional de Investigaciones Científicas y Técnicas, Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas, Universidad Nacional de La Plata, University of the Basque Country, Instituto de Física de Buenos Aires

Language: English

Topic: Advanced Chemical Physics Studies

Subfield: Atomic and Molecular Physics, and Optics

Field: Physics and Astronomy

Domain: Physical Sciences

Open Access status: closed

Funders: Consejo Nacional de Investigaciones Científicas y Técnicas, Secretaría de Ciencia y Técnica, Universidad de Buenos Aires

Awards: G1356765116, G5462412021, G6338344309, G8632302381

OpenAlex ID: W4414411819

FWCI: 0.37

Cites: 58

Cited by: 1

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