Calculation of Dynamic Electric Dipole Polarizability, Nuclear Electric Shieldings, and their Cauchy Moments in Benzene
Academic Article
Publication Date:
1993
Short description:
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.
Iris type:
Articolo su rivista
Keywords:
ELECTRIC DIPOLES; POLARIZABILITY; BENZENE; RANDOM PHASE APPROXIMATION; HARTREE−; FOCK METHOD; TENSORS; SCREENING; VELOCITY; ACCELERATION; LENGTH
List of contributors:
Lazzeretti, Paolo; Malagoli, M; Turci, L; Zanasi, Roberto
Published in: