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Determining the N-representability of transition reduced density matrices

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Year: 2025
Type: article
Source: The Journal of Chemical Physics
DOI: 10.1063/5.0275683
Authors: Gustavo E. Massaccesi, Pablo Capuzzi, Ofelia B. Oña, Luis Lain, Alicia Torre, Juan E. Peralta, Diego R. Alcoba
Institutions: Consejo Nacional de Investigaciones Científicas y Técnicas, Universidad de Buenos Aires, Instituto de Física de Buenos Aires, Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas, Universidad Nacional de La Plata, University of the Basque Country, Central Michigan University
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: U.S. Department of Energy, Consejo Nacional de Investigaciones Científicas y Técnicas, Agencia Nacional de Promoción de la Investigación, el Desarrollo Tecnológico y la Innovación, Secretaría de Ciencia y Técnica, Universidad de Buenos Aires
Awards: G3004000580, G4261034306, TAS::89 0222::TAS; NEW; SPIN-FORBIDDEN CHEMICAL REACTIONS IN CATALYSIS FROM FIRST-PRINCIPLES; PI - JUAN PERALTA, G5604461982, G6338344309, G8632302381
OpenAlex ID: W4412519400
FWCI: 0.737
Cites: 69
Cited by: 2
Related to: 10
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