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

Mostrar todas las versiones(2)

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...

Descripción completa

Guardado en:
Detalles Bibliográficos
Autores principales: Massaccesi, Gustavo Ernesto, Oña, Ofelia Beatriz
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:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00219606_v139_n8_p_Alcoba
http://hdl.handle.net/20.500.12110/paper_00219606_v139_n8_p_Alcoba
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

Ejemplares similares

Ejemplares similares