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.
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.
Calculation of Dynamic Electric Dipole Polarizability, Nuclear Electric Shieldings, and their Cauchy Moments in Benzene
LAZZERETTI, Paolo;
1993
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.
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