Extended basis CNDO calculations of linear and nonlinear electric susceptibilities of some molecular dianions and carbonions using coupled Hartree–Fock perturbation theory

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Abstract
The results of calculating the average polarizabilities, first and second hyperpolarizabilities and molar Kerr constants of C5H, C6H, 2‐C10H, 2‐C14H, C8H and C8H are reported. The main elements of our computational scheme are McWeeny's coupled Hartree–Fock perturbation theory and an extended basis CNDO wave function. It is shown that the studied anions have nonlinearities within the same order of magnitude as their respective uncharged parent molecules. The Kerr constants of these anions are analyzed and the contribution of the various terms is appraised.

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