Calculation of dynamic electric dipole polarizability, nuclear electric shieldings, and their Cauchy moments in benzene
- 15 October 1993
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 99 (8) , 6027-6030
- https://doi.org/10.1063/1.465901
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.Keywords
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