Calculation of electric dipole hypershieldings at the nuclei in diatomic molecules

The third-rank electric hypershielding at the nuclei of eight diatomic molecules and carbon dioxide has been evaluated at the Hartree-Fock level of accuracy (i) by straightforward use of its definition within the Rayleigh-Schrödinger perturbation theory and (ii) by a pointwise procedure for geometri...

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Detalles Bibliográficos
Autores principales:	Caputo, M.C., Lazzeretti, P.
Formato:	JOUR
Materias:	Hellmann-Feynman theorem Nuclear electric hypershieldings Rototranslational sum rules accuracy article dipole electric conductivity electricity geometry mathematical analysis quantum chemistry theory
Acceso en línea:	http://hdl.handle.net/20.500.12110/paper_03010104_v284_n3_p601_Caputo
Aporte de:	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

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