Abstract
The variation-perturbation technique is applied to the calculation of the electric polarizability tensor of diatomic molecules within the CNDO/2 approximation. The results obtained in this paper are similar to those found in the non-empirical variation-perturbation approach within the minimal STO basis set. They are also compared with other CNDO/2 calculations and with existing experimental data. It follows from this comparison that the CNDO/2 variation-perturbation method does not allow for the calculation of the polarizability anisotropies. On the other hand, the rotational average of the polarizability tensor can be predicted in agreement with both the experimental data and nonempirical results.
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