Communication: Reduced density matrices in molecular systems: Grand-canonical electron states

Grand-canonical like descriptions of many electron atomic and molecular open systems which are characterized by a non-integer number of electrons are presented. Their associated reduced density matrices (RDMs) are obtained by introducing the contracting mapping for this type of distributions. It is...

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Detalles Bibliográficos
Autores principales: Bochicchio, Roberto Carlos, Rial, Diego Fernando
Publicado: 2013
Materias:
Chemical descriptors
Convexity properties
Density matrix
Many electron
Molecular systems
Number of electrons
Theoretical aspects
Physical chemistry
Physics
Quantum theory
Acceso en línea:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00219606_v139_n19_p_Bochicchio
http://hdl.handle.net/20.500.12110/paper_00219606_v139_n19_p_Bochicchio
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

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