CALCULATION OF DYNAMIC ELECTRIC-DIPOLE POLARIZABILTY, NUCLEAR ELECTRIC SHIELDINGS, AND THEIR CAUCHY MOMENTS IN BENZENE

Authors
LAZZERETTI P MALAGOLI M TURCI L ZANASI R
Citation
P. Lazzeretti et al., CALCULATION OF DYNAMIC ELECTRIC-DIPOLE POLARIZABILTY, NUCLEAR ELECTRIC SHIELDINGS, AND THEIR CAUCHY MOMENTS IN BENZENE, The Journal of chemical physics, 99(8), 1993, pp. 6027-6030
Citations number
28
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
The Journal of chemical physics → ACNP
ISSN journal
00219606
Volume
99
Issue
8
Year of publication
1993
Pages
6027 - 6030
Database
ISI
SICI code
0021-9606(1993)99:8<6027:CODEPN>2.0.ZU;2-F
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 mol ecule. Cauchy moments of the various properties have been determined. The results obtained in different gauges (dipole length, velocity, and acceleration) are reported.