Calculation of Dynamic Electric Dipole Polarizability, Nuclear Electric Shieldings, and their Cauchy Moments in Benzene
Articolo
Data di Pubblicazione:
1993
Citazione:
Calculation of Dynamic Electric Dipole Polarizability, Nuclear Electric Shieldings, and their Cauchy Moments in Benzene / Lazzeretti, Paolo; Malagoli, M; Turci, L; Zanasi, Roberto. - In: THE JOURNAL OF CHEMICAL PHYSICS. - ISSN 0021-9606. - STAMPA. - 99:(1993), pp. 6027-6030.
Abstract:
Theoretical methods based on the random-phase approximation have been applied to evaluate near Hartree-Fock dynamic electric polarizability and shielding tensors of carbon and hydrogen nuclei in the benzene molecule. Cauchy moments of the various properties have been determined. The results obtained in different gauges (dipole length, velocity, and acceleration) are reported.
Tipologia CRIS:
Articolo su rivista
Keywords:
ELECTRIC DIPOLES; POLARIZABILITY; BENZENE; RANDOM PHASE APPROXIMATION; HARTREE−; FOCK METHOD; TENSORS; SCREENING; VELOCITY; ACCELERATION; LENGTH
Elenco autori:
Lazzeretti, Paolo; Malagoli, M; Turci, L; Zanasi, Roberto
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