Seniority number in spin-adapted spaces and compactness of configuration interaction wave functions

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This work extends the concept of seniority number, which has been widely used for classifying N-electron Slater determinants, to wave functions of N electrons and spin S, as well as to N-electron spin-adapted Hilbert spaces. We propose a spin-free formulation of the seniority number operator and per...

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Detalles Bibliográficos
Autores principales: Alcoba, D.R., Torre, A., Lain, L., Massaccesi, G.E., Oña, O.B.
Formato: Artículo publishedVersion
Publicado: 2013
Materias:
Change of basis
Configuration interactions
Expectation values
Natural orbitals
Quantitative evaluation
Rapid convergence
Slater determinants
Unitary transformations
Electrospinning
Magnetic moments
Molecular orbitals
Wave functions
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_00219606_v139_n8_p_Alcoba
https://repositoriouba.sisbi.uba.ar/gsdl/cgi-bin/library.cgi?a=d&c=artiaex&d=paper_00219606_v139_n8_p_Alcoba_oai
Aporte de:
Repositorio Digital de la Universidad de Buenos Aires (UBA) de Universidad de Buenos Aires

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