Configuration interaction wave functions: A seniority number approach

This work deals with the configuration interaction method when an N-electron Hamiltonian is projected on Slater determinants which are classified according to their seniority number values. We study the spin features of the wave functions and the size of the matrices required to formulate states of...

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Detalles Bibliográficos
Autores principales:	Alcoba, D.R., Torre, A., Lain, L., Massaccesi, G.E., Oña, O.B.
Formato:	JOUR
Materias:	Molecular orbitals Configuration interaction method Configuration interactions Correlation energy Expectation values Full configuration interaction Natural orbitals Numerical results Slater determinants Wave functions
Acceso en línea:	http://hdl.handle.net/20.500.12110/paper_00219606_v140_n23_p_Alcoba
Aporte de:	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

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