Articles you may be interested inNonmetallic electronegativity equalization and point-dipole interaction model including exchange interactions for molecular dipole moments and polarizabilities J. Chem. Phys. 131, 044101 (2009); 10.1063/1.3166142 Accurate electric dipole and quadrupole moment, dipole polarizability, and first and second dipole hyperpolarizability of ozone from coupled cluster calculations A complete description of the electric dipole moment, polarizability, and hyperpolarizability tensors of hydrogen peroxide J. Chem. Phys. 96, 6048 (1992); 10.1063/1.462646 An interacting segment model of molecular electric tensor properties: Theory and application to electric dipole moments of the halogenated methanes A group-dipole interaction model of the molecular polarizability and the molecular first and second hyperpolarizabilities A previously developed interacting segment model [ISM-see J. Chern. Phys. 67, 2109Phys. 67, (1977] is applied to a full-scale treatment of the electric dipole moments, isotropic and anisotropic polarizabilities, and hyperpolarizabilities of a series of t 2 halogenated methane molecules CXn Y 4-n(X, Y = H,F ,Ct; n = 0-4). The ISM scheme enables the molecular properties considered to be fitted in terms of a set of "bare" electric tensor parameters for each bond, which are modified ("dressed") by intramolecular electrostatic interactions. The computed results of the ISM scheme, and of a corresponding interaction-free bond additivity model, are discussed in relation to the following: choice of geometric and bond parameters, quality of fit to experimentally determined molecular and bond properties, and predictive potential and general physical validity of the model. It is concluded that the ISM approach represents a substantial improvement over simple bond additivity as a basis for understanding molecular electric tensor properties.An optical polarizability anisotropy which contributes directly to the Kerr effect 4858