Relativistic corrections to the electric field gradient given by linear response elimination of the small component formalism

This article is concerned with the analysis of relativistic corrections to the electric field gradients (EFGs) via the linear response elimination of the small component scheme (LRESC). Originally developed for magnetic shielding constant, LRESC has been applied in many molecular properties and pres...

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Detalles Bibliográficos
Autores principales: Melo, J.I., Maldonado, A.F.
Formato: JOUR
Materias:
DFT
EFG
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_00207608_v_n_p_Melo
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