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  1. Pubblicazioni

Forces at the nuclei of a molecule in the presence of non-uniform electric field

Articolo
Data di Pubblicazione:
1997
Citazione:
Forces at the nuclei of a molecule in the presence of non-uniform electric field / Lazzeretti, Paolo; A., Courtot; M., Defranceschi; G., Berthier. - In: JOURNAL OF MOLECULAR STRUCTURE. THEOCHEM. - ISSN 0166-1280. - STAMPA. - 390:(1997), pp. 57-60. [10.1016/S0166-1280(96)04759-6]
Abstract:
The interaction Hamiltonian within the Bloch gauge for the potentials of the electric field has been used to define electric multipole moment operators. Perturbation theory has been applied to evaluate the induced electronic moments and electric field at the nuclei in the presence of spatially non-uniform electric fields of high intensity. Multipole nuclear electric shielding tensors have been defined to describe the contributions arising from a non-homogeneous electric field. These quantities are useful to rationalize linear and non-linear responses of a molecule in the presence of intense external electric perturbations.
Tipologia CRIS:
Articolo su rivista
Keywords:
Forces at the nuclei of a molecule; non-uniform electric field
Elenco autori:
Lazzeretti, Paolo; A., Courtot; M., Defranceschi; G., Berthier
Link alla scheda completa:
https://iris.unimore.it/handle/11380/304008
Pubblicato in:
JOURNAL OF MOLECULAR STRUCTURE. THEOCHEM
Journal
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