TITLE

Calculation of dynamic electric dipole polarizability, nuclear electric shieldings, and their Cauchy moments in benzene

AUTHOR(S)
Lazzeretti, P.; Malagoli, M.; Turci, L.; Zanasi, R.
PUB. DATE
October 1993
SOURCE
Journal of Chemical Physics;10/15/1993, Vol. 99 Issue 8, p6027
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
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.
ACCESSION #
7649598

 

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